WO2019150653A1 - Display processing device, imaging mass spectrometry system, and display processing method - Google Patents

Display processing device, imaging mass spectrometry system, and display processing method Download PDF

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Publication number
WO2019150653A1
WO2019150653A1 PCT/JP2018/036951 JP2018036951W WO2019150653A1 WO 2019150653 A1 WO2019150653 A1 WO 2019150653A1 JP 2018036951 W JP2018036951 W JP 2018036951W WO 2019150653 A1 WO2019150653 A1 WO 2019150653A1
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Prior art keywords
intensity distribution
unit
classification
distribution data
display
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PCT/JP2018/036951
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French (fr)
Japanese (ja)
Inventor
倫憲 押川
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株式会社島津製作所
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Priority to JP2019568577A priority Critical patent/JP6897804B2/en
Publication of WO2019150653A1 publication Critical patent/WO2019150653A1/en

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    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N27/00—Investigating or analysing materials by the use of electric, electrochemical, or magnetic means
    • G01N27/62—Investigating or analysing materials by the use of electric, electrochemical, or magnetic means by investigating the ionisation of gases, e.g. aerosols; by investigating electric discharges, e.g. emission of cathode

Definitions

  • the present invention relates to a display processing device, an imaging mass spectrometry system, and a display processing method for displaying a plurality of two-dimensional intensity distribution images obtained by imaging mass spectrometry.
  • Imaging mass spectrometry is a technique for examining the distribution of substances having a specific mass in a sample by performing mass analysis on a plurality of measurement points in a two-dimensional region of the sample.
  • Patent Literature 1 describes an imaging mass spectrometer that performs imaging mass spectrometry.
  • mass spectral data indicating the relationship between the mass-to-charge ratio and the ion intensity value in a predetermined range of the mass-to-charge ratio is acquired for each measurement point in the two-dimensional region of the sample. Is done.
  • a set of mass spectrum data acquired for all measurement points in the two-dimensional region is referred to as mass spectrometry imaging data.
  • a two-dimensional intensity distribution image (hereinafter referred to as an intensity distribution image) is generated based on the mass spectrometry imaging data.
  • the intensity distribution image is an image showing a two-dimensional distribution of ion intensity values corresponding to an arbitrary mass-to-charge ratio, and is also called an MS image (mass analysis image) or a mass imaging image. Since mass spectrometry imaging data includes a huge number of sets of mass-to-charge ratios and ion intensity values, it is possible to generate a huge number of intensity distribution images from a single mass spectrometry imaging data.
  • International Publication No. 2016/103312 International Publication No. 2016/103312
  • the imaging mass spectrometer may be provided with a function for displaying a plurality of intensity distribution images side by side.
  • the user can analyze the distribution of the specific component in the sample by viewing the plurality of displayed intensity distribution images and selecting a desired intensity distribution image.
  • the number of intensity distribution images that can be generated by the imaging mass spectrometer is enormous, it is not easy to find a desired intensity distribution image from a plurality of displayed intensity distribution images.
  • analysis of a plurality of samples may be performed simultaneously using mass spectrometry imaging data of a plurality of samples.
  • the number of intensity distribution images that can be generated further increases, it becomes more difficult to find a desired intensity distribution image from a plurality of displayed intensity distribution images.
  • An object of the present invention is to provide a display processing apparatus, an imaging mass spectrometry system, and a display processing method capable of efficiently finding a desired intensity distribution image from a plurality of intensity distribution images.
  • a display processing device is a display processing device that performs display processing using a display unit, and acquires an acquisition unit that acquires a plurality of mass spectrum data for a plurality of measurement points of a sample;
  • a generation unit that generates intensity distribution data indicating a two-dimensional distribution of signal intensity values corresponding to an arbitrary mass-to-charge ratio in a plurality of mass spectrum data, and a plurality of units generated by the generation unit corresponding to the plurality of mass-to-charge ratios
  • a storage unit that stores intensity distribution data, a classification standard reception unit that receives designation of any one of a plurality of classification standards for classifying each intensity distribution data into one of a plurality of groups, and a classification standard reception
  • each intensity distribution data is classified into one of a plurality of groups based on any one of the plurality of classification criteria specified, and the plurality of classified intensity distribution data is a plurality of It is divided into groups as intensity distribution images and displayed on the display unit. Therefore, even if the number of intensity distribution images is enormous, the plurality of intensity distribution images are classified and displayed in a state of being arranged for each group classified based on a desired classification criterion. Thus, the user can efficiently find a desired intensity distribution image from the displayed plurality of intensity distribution images.
  • the classification criterion receiving unit is configured to be able to receive designation of a plurality of classification criteria, and the classification unit generates a plurality of groups based on a logical operation of the plurality of classification criteria designated by the classification criterion receiving unit.
  • the intensity distribution data stored in the storage unit may be classified into any of a plurality of generated groups.
  • the classification methods that can be specified by the user are diversified. Thereby, the freedom degree of the classification
  • the classification unit generates a plurality of groups based on a logical product of a plurality of classification criteria specified by the classification criterion reception unit, and generates each intensity distribution data stored in the storage unit of the generated plurality of groups. You may classify into either. In this case, the plurality of intensity distribution data is classified into a plurality of groups subdivided by a combination of a plurality of classification criteria. As a result, the user can accurately find a desired intensity distribution image from a plurality of intensity distribution images.
  • the classification unit generates a plurality of groups based on a logical sum of the plurality of classification criteria specified by the classification criterion reception unit, and generates each intensity distribution data stored in the storage unit of the generated plurality of groups. You may classify into either. In this case, a plurality of intensity distribution data are classified into a plurality of groups in parallel based on a plurality of classification criteria. Thereby, the user can easily find a desired intensity distribution image from a plurality of intensity distribution images.
  • the display processing device includes a group reception unit that receives selection of one or a plurality of groups among a plurality of groups based on the classification criteria specified by the classification criterion reception unit, and each intensity distribution data stored in the storage unit An extraction unit that extracts a plurality of intensity distribution data belonging to one or a plurality of groups selected by the group reception unit, and the display control unit outputs the plurality of intensity distribution data extracted by the extraction unit to a plurality of intensities.
  • the distribution image may be divided into groups and displayed on the display unit.
  • Multiple classification criteria are attributed to the identification information for specifying the measured sample, the value of the mass-to-charge ratio specifying the substance in the sample, the type of matrix used for the measurement, and the substance in the sample.
  • Two or more classification criteria may be included among the types of peaks that appear and the neutral loss.
  • multiple intensity distribution images are displayed on the display unit in a state where identification information, mass-to-charge ratio values, matrix types, mass spectral data peak types, or neutral loss or a combination of these are grouped. Is done. Accordingly, the user can more efficiently find a desired mass analysis image intensity distribution image from the displayed plurality of mass analysis image intensity distribution images.
  • An imaging mass spectrometry system includes an imaging mass analysis unit that generates a plurality of mass spectrum data for a plurality of measurement points of a sample, a display unit, and a display process using the display unit. And a display processing device according to one aspect of the present invention.
  • a display processing method is a display processing method for performing display processing using a display unit, and each of acquiring a plurality of mass spectrum data for a plurality of measurement points of a sample.
  • Generating intensity distribution data indicating a two-dimensional distribution of signal intensity values corresponding to a constant mass-to-charge ratio in a plurality of mass spectrum data, and a plurality of intensity distributions generated corresponding to the plurality of mass-to-charge ratios A step of storing data, a step of accepting designation of one of a plurality of classification criteria for classifying each intensity distribution data into one of a plurality of groups, and storing based on the designated classification criteria Classifying each classified intensity distribution data into one of a plurality of groups and a plurality of classified intensity distribution data as a plurality of intensity distribution images And comprising a step of displaying on the display unit by dividing each group.
  • this display processing method even if the number of intensity distribution images is enormous, a plurality of intensity distribution images are classified in a grouped state based on a desired classification criterion and are displayed on the display unit. Is displayed. Thus, the user can efficiently find a desired intensity distribution image from the displayed plurality of intensity distribution images.
  • a desired intensity distribution image can be efficiently found from a plurality of intensity distribution images.
  • FIG. 1 is a block diagram showing a configuration of an imaging mass spectrometry system provided with a display processing apparatus according to an embodiment of the present invention.
  • FIG. 2 is a diagram for explaining a method of generating an intensity distribution image based on the intensity distribution data generated by the generation unit of FIG.
  • FIG. 3 is a diagram showing an example of the display screen of the display unit of FIG.
  • FIG. 4 is a diagram showing an example of a display screen when the main category is selected.
  • FIG. 5 is a diagram showing an example of a display screen when the main category is selected.
  • FIG. 6 is a diagram illustrating an example of a display screen when filtering is performed after the grouping of FIG.
  • FIG. 7 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG.
  • FIG. 8 is a diagram illustrating an example of a display screen when a subcategory and a logical product are further selected.
  • FIG. 9 is a diagram illustrating an example of a display screen when a subcategory and a logical product are further selected.
  • FIG. 10 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG.
  • FIG. 11 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG.
  • FIG. 12 is a diagram showing an example of a display screen when a subcategory and a logical sum are further selected.
  • FIG. 13 is a diagram showing an example of a display screen when a subcategory and a logical sum are further selected.
  • FIG. 10 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG.
  • FIG. 11 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG.
  • FIG. 14 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG.
  • FIG. 15 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG.
  • FIG. 16 is a flowchart showing an algorithm of display processing performed by the display processing program.
  • FIG. 17 is a flowchart showing the classification algorithm based on the subcategory in step S7 of FIG.
  • FIG. 1 is a block diagram showing a configuration of an imaging mass spectrometry system provided with a display processing apparatus according to an embodiment of the present invention.
  • the imaging mass spectrometry system 100 includes a display processing device 10, an imaging mass analysis unit 20, an operation unit 30 and a display unit 40.
  • the imaging mass spectrometer 20 includes a laser beam irradiator, an ion trap, a time-of-flight mass analyzer, and an ion detector.
  • the laser beam irradiation unit irradiates an arbitrary part of the sample with the laser beam.
  • the ion trap holds ions generated by laser light irradiation.
  • the time-of-flight mass analyzer separates the retained ions according to the mass to charge ratio.
  • the ion detector detects the intensity value of the separated ions.
  • the value of the output signal of the ion detector is the signal intensity value, and the signal intensity value corresponds to the ion intensity value.
  • the imaging mass spectrometer 20 generates mass spectrum data for a plurality of measurement points in a desired two-dimensional region of the sample.
  • Each mass spectrum data is data indicating a relationship between a mass-to-charge ratio (m / z) and a signal intensity value (ion intensity value) in a predetermined range of the mass-to-charge ratio at each measurement point.
  • the operation unit 30 includes, for example, a pointing device such as a mouse and a keyboard, and is operated by a user to give an instruction to the display processing device 10.
  • the display unit 40 includes, for example, an LCD (liquid crystal display) panel or an organic EL (electroluminescence) panel, and displays an intensity distribution image based on a plurality of mass spectrum data.
  • the intensity distribution image is an image showing a two-dimensional distribution of signal intensity values corresponding to an arbitrary mass-to-charge ratio.
  • the signal intensity value corresponds to the ion intensity value.
  • a plurality of pixels constituting the intensity distribution image correspond to a plurality of measurement points, and a signal intensity value corresponding to each pixel is represented by, for example, color shading. A method for generating the intensity distribution image will be described later.
  • the display processing device 10 is realized by, for example, a personal computer and a display processing program.
  • the personal computer includes a CPU (Central Processing Unit), a RAM (Random Access Memory), a ROM (Read Only Memory), a storage device, and the like.
  • the display processing device 10 includes an acquisition unit 11, a generation unit 12, a storage unit 13, a classification reference reception unit 14, a classification unit 15, a group reception unit 16, an extraction unit 17, and a display control unit 18.
  • the functions of the components (11 to 18) in FIG. 1 are realized by the CPU of the personal computer executing a display processing program stored in a storage medium (recording medium) such as a ROM or a storage device. Note that some or all of the components (11 to 18) in FIG. 1 may be configured by hardware such as an electronic circuit.
  • the acquisition unit 11 acquires mass spectrum data for a plurality of measurement points of the sample generated by the imaging mass analysis unit 20.
  • the generation unit 12 generates intensity distribution data indicating a two-dimensional distribution of signal intensity values corresponding to a mass-to-charge ratio designated based on a plurality of mass spectrum data acquired by the acquisition unit 11 for each measurement of each sample.
  • the storage unit 13 stores a plurality of intensity distribution data generated by the generation unit 12 corresponding to a plurality of mass to charge ratios. In this case, regardless of whether the samples used for the measurement are the same sample or different samples, one or a plurality of intensity distribution data generated for each measurement of the sample is stored as a data file. Each data file is given unique identification information such as a file number or a file name.
  • the intensity distribution data When the intensity distribution data is generated with a signal intensity value corresponding to the mass to charge ratio value of a specific compound, the intensity distribution data includes information indicating the type of compound or the mass to charge ratio value.
  • the intensity distribution data When the intensity distribution data is generated with a signal intensity value corresponding to a peak appearing due to a specific compound, the intensity distribution data includes information indicating the type of peak appearing due to the specific compound.
  • the peak that appears due to a specific compound is, for example, a fragment peak, an isotope peak, an adduct ion peak, or a multimeric peak.
  • Each intensity distribution data may include information indicating the neutral loss of a specific compound.
  • each intensity distribution data when a matrix is used for measurement of the sample, each intensity distribution data includes information indicating the type of the matrix.
  • the classification criterion receiving unit 14 is configured to select one of the plurality of classification criteria for classifying (grouping) each intensity distribution data into one of a plurality of groups based on the operation of the operation unit 30 by the user.
  • Classification criteria include, for example, data file identification information, mass-to-charge ratio values that specify the type of compound in the sample, the type of matrix used in the measurement, the type of peak that appears due to the same compound in the sample, And neutral loss of the same compound.
  • the types of peaks that appear due to the same compound in the sample include, for example, a fragment peak, an isotope peak, an adduct ion peak, and a multimer peak.
  • the classification standard accepting unit 14 can accept designation of a plurality of (two in the present embodiment) classification standards.
  • the classification standard accepted first is called a main category, and the classification standard accepted thereafter is called a subcategory.
  • the classification reference receiving unit 14 further receives logic (logical operation) for specifying the relationship between the main category and the subcategory.
  • Logic includes logical product (AND) and logical sum (OR).
  • the classification unit 15 classifies each intensity distribution data stored in the storage unit 13 into one of a plurality of groups based on the designated main category when the main category is designated by the classification reference receiving unit 14. To do. Further, when the subcategory and logic are further designated by the classification reference accepting unit 14, further classification of each intensity distribution data for each group is performed based on the designated subcategory and logic. As a result, the classification methods that can be specified by the user are diversified, and the degree of freedom of classification of groups of each intensity distribution data can be improved.
  • the classification unit 15 classifies the intensity distribution data classified into each group of the main category into any of a plurality of subcategories within the group. To do.
  • the plurality of intensity distribution data are classified into a plurality of groups subdivided by a combination of the main category and the subcategory.
  • the classification unit 15 further classifies each intensity distribution data stored in the storage unit 13 into one of a plurality of groups of subcategories, and the classified groups To the main category group.
  • the plurality of intensity distribution data are classified into a plurality of groups in parallel based on the main category and the subcategory.
  • the group reception unit 16 receives selection of one or more groups among a plurality of groups based on the classification criteria specified by the classification criteria reception unit 14 based on the operation of the operation unit 30 by the user.
  • the group reception unit 16 may receive selection of a group based on both the main category and the sub category, or may accept selection of a group based on only the main category or only the sub category.
  • the extraction unit 17 extracts (filters) a plurality of intensity distribution data belonging to one or a plurality of groups selected by the group reception unit 16 from the intensity distribution data classified into groups by the classification unit 15.
  • the display control unit 18 classifies the plurality of intensity distribution data classified by the classification unit 15 into a plurality of intensity distribution images for each group and causes the display unit 40 to display them. Further, when the extraction unit 17 extracts the intensity distribution data, the display control unit 18 classifies the extracted plurality of intensity distribution data into a plurality of intensity distribution images for each group, and displays the display unit 40. Display.
  • FIG. 2 is a diagram for explaining a method of generating an intensity distribution image based on the intensity distribution data generated by the generation unit 12 of FIG.
  • a plurality of measurement points 3 are set in a desired two-dimensional region 2 on the surface of the sample 1.
  • FIG. 2 illustrates mass spectrum data MSD1, MSD2, and MSD3 corresponding to three measurement points 3 among the mass spectrum data generated for a plurality of measurement points 3 by the imaging mass analyzer 20 of FIG.
  • the ion intensity values at a constant mass-to-charge ratio m / z value M are I1, I2, and I3, respectively.
  • the generation unit 12 converts the ion intensity value corresponding to the value M of the mass-to-charge ratio m / z at each measurement point 3 into, for example, a data value indicating color shading, and converts the converted data value on each sample 1
  • the measurement points 3 are arranged in association with the two-dimensional positions. Thereby, intensity distribution data is generated. Based on the generated intensity distribution data, an intensity distribution image can be displayed on the display unit 40 of FIG. In the example of FIG. 2, the color density in the intensity distribution image IDI is indicated by a plurality of dot patterns and hatching patterns. The same applies to the intensity distribution images shown below.
  • FIG. 3 is a diagram illustrating an example of a display screen of the display unit 40 in FIG.
  • pull-down menus 42a, 42b, and 42c for grouping are displayed on the display screen 41 of the display unit 40.
  • the user can designate the main category, subcategory, and logic type by operating the pull-down menus 42a to 42c using the operation unit 30 of FIG.
  • check boxes having similar functions may be displayed instead of the pull-down menus 42a to 42c. The same applies to pull-down menus 43a and 43b described later.
  • FIG. 4 and 5 are diagrams showing examples of display screens when the main category is selected.
  • the user operates the pull-down menu 42a to select a desired main category from the pull-down menu 42a.
  • “data file” file number
  • “m / z” mass-to-charge ratio”
  • “matrix”, “fragment”, “isotope”, “adduct ion”, “neutral loss” or “multimer” Can be selected as the main category.
  • “m / z” is selected as the main category, and no subcategory is selected.
  • the intensity distribution data corresponding to the same “m / z” is classified into the same group.
  • the plurality of classified intensity distribution data are displayed as a plurality of intensity distribution images that are divided into groups and arranged on the display screen 41.
  • a plurality of intensity distribution data whose “m / z” is “100”, “200”, “300”, and “400” are classified into groups G1, G2, G3, and G4, respectively.
  • the display areas of the intensity distribution images belonging to the groups G1 to G4 are arranged so as to be aligned in the vertical direction of the display screen 41.
  • a plurality of intensity distribution images corresponding to the classified intensity distribution data are displayed so as to be arranged in the horizontal direction.
  • pull-down menus 43a and 43b for performing filtering are further displayed on the display screen 41.
  • the user can specify a value or type as an extraction criterion for the selected main category by operating the pull-down menu 43a using the operation unit 30.
  • the pull-down menu will be described later. 5 and FIG. 6 and FIG. 7 to be described later, the subcategory is not specified, so that the pull-down menus 42b, 42c, and 43b may not be displayed on the display screen 41.
  • FIG. 6 and 7 are diagrams showing examples of display screens when filtering is performed after the grouping in FIG.
  • the user operates the pull-down menu 43a to select a value or type as an extraction criterion for the selected main category from the pull-down menu 43a.
  • a value or type as an extraction criterion for the selected main category from the pull-down menu 43a.
  • “100”, “200”, “300”, “400”, or the like can be selected as a value as an extraction criterion for “m / z”.
  • the values “200” and “300” that are the extraction criteria for “m / z” are selected.
  • a plurality of intensity distribution data whose “m / z” is “200” or “300” is extracted.
  • Each of the images is divided into groups as a plurality of intensity distribution images and displayed on the display screen 41.
  • FIG. 7 only the intensity distribution images belonging to the groups G2 and G3 respectively corresponding to “200” and “300” of “m / z” are displayed in the display area.
  • FIGS. 8 and 9 are diagrams illustrating an example of a display screen when a subcategory and a logical product are further selected.
  • the user operates the pull-down menu 42b to select the desired subcategory type from the pull-down menu 42a.
  • “data file”, “matrix”, “fragment”, “isotope”, “adduct ion”, “neutral loss” or “multimer” are excluded from the main category “m / z”. Can be selected.
  • the user operates the pull-down menu 42c to select the logic type from the pull-down menu 42c.
  • “AND” logical product
  • “OR” logical sum
  • “data file” and “AND” are selected as the subcategory and logic, respectively.
  • the intensity distribution data corresponding to the same “m / z” is further classified into groups for each “data file”, and as shown in FIG.
  • the intensity distribution data is displayed as being divided into groups as a plurality of intensity distribution images and arranged on the display screen 41.
  • the display areas of the groups G1 to G4 in FIG. 9 are the same as the display areas of the groups G1 to G4 in FIG.
  • a plurality of intensity distribution data whose file numbers are “F1”, “F2”, and “F3” are group G11, They are classified into G12 and G13, respectively.
  • a plurality of sub display areas respectively corresponding to the plurality of groups G11, G12, and G13 are provided in the horizontal direction.
  • a plurality of intensity distribution images corresponding to the classified intensity distribution data are displayed so as to be arranged in the horizontal direction.
  • a plurality of intensity distribution data whose file numbers are “F1”, “F2”, and “F3” are classified into groups G21, G22, and G23, respectively.
  • a plurality of intensity distribution data whose file numbers are “F1”, “F2” and “F3” are classified into groups G31, G32 and G33, respectively.
  • a plurality of intensity distribution data whose file numbers are “F1”, “F2”, and “F3” are classified into groups G41, G42, and G43, respectively.
  • the display mode of the sub display area in each of the groups G2 to G4 is the same as the display mode of the sub display area in the group G1.
  • FIGS. 10 and 11 are diagrams illustrating an example of a display screen when filtering is performed after the grouping in FIG.
  • the operation content of the pull-down menu 43a in FIG. 10 is the same as the operation content of the pull-down menu 43a in FIG.
  • the user further operates the pull-down menu 43b to select a value or type as an extraction criterion for the selected subcategory from the pull-down menu 43b.
  • the file number “F1”, “F2”, “F3”, “F4”, or the like can be selected, for example, as the type serving as the extraction criterion for “file data”.
  • values “200” and “300” that are extraction criteria for “m / z” are selected, and types “F2” and “F3” that are extraction criteria for “file data” are selected.
  • the In this state by performing the determination operation, a plurality of intensity distribution data whose “m / z” is “200” or “300” and whose “file data” is “F2” or “F3” are extracted. .
  • the extracted intensity distribution data is displayed as a plurality of intensity distribution images divided into groups and arranged on the display screen 41.
  • FIGS. 12 and 13 are diagrams illustrating an example of a display screen when a subcategory and a logical sum are further selected.
  • “fragment” is selected as the main category from the pull-down menu 42a.
  • “Adduct ion” is selected as a subcategory from the pull-down menu 42b.
  • “OR” is selected as the logic from the pull-down menu 42c.
  • the intensity distribution data corresponding to the same “fragment” is classified into the same group, and the intensity distribution data corresponding to the same “adduct ion” is classified into the same group.
  • the grouped “adduct ion” group is added to the “fragment” group corresponding to the same compound.
  • the plurality of classified intensity distribution data are displayed as a plurality of intensity distribution images that are divided into groups and arranged on the display screen 41.
  • groups G100, G200, G300, and G400 are provided corresponding to the first to fourth compounds, respectively.
  • the display areas of the intensity distribution images belonging to the groups G100 to G400 are arranged so as to be aligned in the vertical direction of the display screen 41.
  • a plurality of intensity distribution data groups G102 whose “adduct ions” are “ad1” are added to a plurality of intensity distribution data groups G101 whose “fragments” are “fr1”. Is done.
  • a plurality of sub display areas respectively corresponding to the plurality of groups G101 and G102 are provided so as to be arranged in the horizontal direction.
  • a plurality of intensity distribution images corresponding to the classified intensity distribution data are displayed so as to be arranged in the horizontal direction.
  • a plurality of intensity distribution data groups G202 whose “adduct ions” are “ad2” are added to a plurality of intensity distribution data groups G201 whose “fragments” are “fr2”.
  • a plurality of intensity distribution data groups G302 whose “adduct ions” are “ad3” are added to a plurality of intensity distribution data groups G301 whose “fragment” is “fr3”.
  • a plurality of intensity distribution data groups G402 whose “adduct ions” are “ad4” are added to a plurality of intensity distribution data groups G401 whose “fragment” is “fr4”.
  • the display mode of the sub display area in each of the groups G200 to G400 is the same as the display mode of the sub display area in the group G100.
  • FIG. 14 and FIG. 15 are diagrams illustrating an example of a display screen when filtering is performed after the grouping of FIG.
  • “fr1”, “fr2”, “fr3”, “fr4”, and the like can be selected from the pull-down menu 43a as the types that serve as extraction criteria for “fragment”.
  • “ad1”, “ad2”, “ad3”, “ad4”, and the like can be selected from the pull-down menu 43b as the types of extraction criteria for “adduct ions”.
  • types “fr2” and “fr3” that are extraction criteria for “fragment” are selected, and types “ad1” and “ad3” that are extraction criteria for “adduct ions” are selected.
  • a plurality of intensity distribution data whose “fragment” is “fr2” or “fr3” is extracted, and a plurality of “adduct ions” are “ad1” or “ad3”.
  • Intensity distribution data is extracted.
  • the extracted intensity distribution data is displayed as being divided into groups as a plurality of intensity distribution images and arranged on the display screen 41.
  • FIG. 16 is a flowchart showing an algorithm of display processing performed by the display processing program.
  • the acquisition unit 11 acquires mass spectrum data for a plurality of measurement points of the sample from the imaging mass spectrometry unit 20 (step S1).
  • the generation unit 12 generates intensity distribution data based on the plurality of mass spectrum data acquired in step S1 (step S2).
  • the storage unit 13 stores the intensity distribution data generated in step S2 (step S3).
  • the display control unit 18 causes the pull-down menus 42a to 42c of FIG.
  • the classification standard acceptance unit 14 determines whether or not designation of the main category has been accepted (step S5).
  • the user can designate the main category by operating the pull-down menu 42a using the operation unit 30 and performing a determination operation.
  • the classification reference acceptance unit 14 waits until the designation of the main category is accepted.
  • the classification criterion accepting unit 14 determines whether or not the subcategory and logic are designated (Step S6).
  • the user can designate the subcategory and logic by operating the pull-down menus 42b and 42c before the determination operation in step S5.
  • classification based on a subcategory described later is executed (step S7), and the display control unit 18 ends the display process.
  • the classification unit 15 classifies the intensity distribution data stored in step S3 into a group based on the main category received in step S5 (step S8).
  • the display control unit 18 classifies the intensity distribution data intensity distribution images classified in step S8 into groups and displays them on the display unit 40 (step S9). Further, the display control unit 18 displays the pull-down menu 43a of FIG. 5 on the display unit 40 (step S10).
  • the group receiving unit 16 determines whether a value or type designation has been received as an extraction criterion for the main category (step S11).
  • the user can specify the extraction criteria for the main category by operating the pull-down menu 43a using the operation unit 30 and performing a determination operation.
  • the display control unit 18 ends the display process.
  • the extraction unit 17 extracts the intensity distribution data of the group corresponding to the accepted extraction criterion from the respective intensity distribution data classified into groups in step S8. (Step S12).
  • the display control unit 18 classifies the intensity distribution image based on the intensity distribution data extracted in step S12 for each group and displays it on the display unit 40 (step S13), and ends the display process.
  • FIG. 17 is a flowchart showing a classification algorithm based on the subcategory in step S7 of FIG.
  • the classification criterion receiving unit 14 determines whether or not a logical product has been designated as a logic (step S21). If the logical product has been designated, the classification unit 15 classifies the intensity distribution data stored in step S3 into one of the groups based on the main category received in step S5, similarly to step S8 (step S22). ). Further, the classification unit 15 further classifies the intensity distribution data classified in step S22 into any of the groups based on the subcategory designated in step S6 (step S23).
  • the classification unit 15 receives the intensity distribution data stored in step S3 in step S5 as in step S8. It classify
  • step S23 or step S26 the display control unit 18 classifies the intensity distribution image of the intensity distribution data classified in step S23 or step S26 into groups and displays them on the display unit 40 (step S27). Further, the display control unit 18 displays the pull-down menus 43a and 43b in FIG. 5 on the display unit 40 (step S28).
  • the group receiving unit 16 determines whether a value or type designation has been received as an extraction criterion for the main category or subcategory (step S29).
  • the user can designate the extraction criteria for the main category and the sub category by operating the pull-down menus 43a and 43b using the operation unit 30 and performing the determination operation.
  • the display control unit 18 ends the classification based on the sub category.
  • the extraction unit 17 extracts the extraction criteria for the accepted main category or subcategory from the respective intensity distribution data classified into groups in step S23 or step S26.
  • the intensity distribution data of the group corresponding to is extracted (step S30).
  • the display control unit 18 divides the intensity distribution image based on the intensity distribution data extracted in step S30 into groups and displays them on the display unit 40 (step S31), and ends the display process.
  • any of the processes in steps S9 and S10 may be executed first or at the same time.
  • either of the processes of steps S24 and S25 may be executed first or may be executed simultaneously.
  • either of the processes in steps S27 and S28 may be executed first or at the same time.
  • the classification standard receiving unit 14 receives designation of any one of the plurality of classification standards.
  • Each intensity distribution data is classified into one of a plurality of groups by the classification unit 15 based on the classification standard designated by the classification standard receiving unit 14.
  • the plurality of classified intensity distribution data are classified into groups as a plurality of intensity distribution images and displayed on the display unit 40.
  • a plurality of intensity distribution images are displayed in the display unit 40 in a state where they are arranged for each group classified based on a desired classification standard.
  • the user can efficiently find a desired intensity distribution image from the displayed plurality of intensity distribution images.
  • a plurality of intensity distribution data belonging to the selected group are extracted by the extraction unit 17.
  • the extracted plurality of intensity distribution data is displayed as a plurality of intensity distribution images for each group and displayed on the display unit 40.
  • only the intensity distribution images belonging to the desired group can be displayed on the display unit 40, and the intensity distribution images belonging to other unnecessary groups can be hidden.
  • the user can more efficiently find a desired intensity distribution image from the displayed plurality of intensity distribution images.

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Abstract

According to the present invention, a plurality of pieces of mass spectrum data about a plurality of measurement points of a sample are acquired by an acquisition unit. From the plurality of pieces of acquired mass spectrum data, intensity distribution data, which indicates the 2-dimensional distribution of signal intensity values corresponding to arbitrary mass charge ratios, are generated by a generation unit. A plurality of pieces of intensity distribution data generated corresponding to a plurality of mass charge ratios are stored in a storage unit. The designation of any classification standard, among a plurality of classification standards, is received by a classification standard receiving unit. Based on the designated classification standard, each piece of intensity distribution data stored in the storage unit is classified into any of a plurality of groups by classification unit. The plurality of pieces of classified intensity distribution data are distinguished, for each group, as a plurality of intensity distribution images, and are displayed on a display unit.

Description

表示処理装置、イメージング質量分析システムおよび表示処理方法Display processing apparatus, imaging mass spectrometry system, and display processing method
　本発明は、イメージング質量分析により得られる複数の二次元強度分布画像を表示する表示処理装置、イメージング質量分析システムおよび表示処理方法に関する。 The present invention relates to a display processing device, an imaging mass spectrometry system, and a display processing method for displaying a plurality of two-dimensional intensity distribution images obtained by imaging mass spectrometry.
　イメージング質量分析は、試料の二次元領域内の複数の測定点について質量分析を行うことにより、試料における特定の質量を有する物質の分布を調べる手法である。例えば、特許文献１にイメージング質量分析を行うイメージング質量分析装置が記載されている。特許文献１に記載されたイメージング質量分析装置においては、試料の二次元領域内の各測定点について、質量電荷比の所定範囲における質量電荷比とイオン強度値との関係を示すマススペクトルデータが取得される。二次元領域内の全ての測定点について取得されたマススペクトルデータの集合を質量分析イメージングデータと呼ぶ。 Imaging mass spectrometry is a technique for examining the distribution of substances having a specific mass in a sample by performing mass analysis on a plurality of measurement points in a two-dimensional region of the sample. For example, Patent Literature 1 describes an imaging mass spectrometer that performs imaging mass spectrometry. In the imaging mass spectrometer described in Patent Document 1, mass spectral data indicating the relationship between the mass-to-charge ratio and the ion intensity value in a predetermined range of the mass-to-charge ratio is acquired for each measurement point in the two-dimensional region of the sample. Is done. A set of mass spectrum data acquired for all measurement points in the two-dimensional region is referred to as mass spectrometry imaging data.
　特定の質量電荷比が指定されることにより、質量分析イメージングデータに基づいて二次元強度分布画像（以下、強度分布画像と呼ぶ。）が生成される。強度分布画像は、任意の質量電荷比に対応するイオン強度値の二次元分布を示す画像であり、ＭＳイメージ（質量分析画像）または質量イメージング画像とも呼ばれる。質量分析イメージングデータは膨大な数の質量電荷比とイオン強度値との組を含むため、一の質量分析イメージングデータにより膨大な数の強度分布画像を生成することが可能である。
国際公開第２０１６／１０３３１２号 By specifying a specific mass-to-charge ratio, a two-dimensional intensity distribution image (hereinafter referred to as an intensity distribution image) is generated based on the mass spectrometry imaging data. The intensity distribution image is an image showing a two-dimensional distribution of ion intensity values corresponding to an arbitrary mass-to-charge ratio, and is also called an MS image (mass analysis image) or a mass imaging image. Since mass spectrometry imaging data includes a huge number of sets of mass-to-charge ratios and ion intensity values, it is possible to generate a huge number of intensity distribution images from a single mass spectrometry imaging data.
International Publication No. 2016/103312
　イメージング質量分析装置には、複数の強度分布画像を並べて表示する機能が設けられることがある。使用者は、表示された複数の強度分布画像を視認して所望の強度分布画像を選択することにより試料における特定成分の分布を解析することができる。しかしながら、上記のように、イメージング質量分析装置により生成可能な強度分布画像の数は膨大であるため、表示された複数の強度分布画像から所望の強度分布画像を見出すことは容易ではない。 The imaging mass spectrometer may be provided with a function for displaying a plurality of intensity distribution images side by side. The user can analyze the distribution of the specific component in the sample by viewing the plurality of displayed intensity distribution images and selecting a desired intensity distribution image. However, as described above, since the number of intensity distribution images that can be generated by the imaging mass spectrometer is enormous, it is not easy to find a desired intensity distribution image from a plurality of displayed intensity distribution images.
　また、近年では、複数の試料についての質量分析イメージングデータを用いて、複数の試料についての解析が同時に行われることがある。この場合、生成可能な強度分布画像の数はさらに増加するため、表示された複数の強度分布画像から所望の強度分布画像を見出すことはさらに困難となる。 In recent years, analysis of a plurality of samples may be performed simultaneously using mass spectrometry imaging data of a plurality of samples. In this case, since the number of intensity distribution images that can be generated further increases, it becomes more difficult to find a desired intensity distribution image from a plurality of displayed intensity distribution images.
　本発明の目的は、複数の強度分布画像から所望の強度分布画像を効率よく見出すことが可能な表示処理装置、イメージング質量分析システムおよび表示処理方法を提供することである。 An object of the present invention is to provide a display processing apparatus, an imaging mass spectrometry system, and a display processing method capable of efficiently finding a desired intensity distribution image from a plurality of intensity distribution images.
　（１）本発明の一局面に従う表示処理装置は、表示部を用いた表示処理を行う表示処理装置であって、試料の複数の測定点についての複数のマススペクトルデータを取得する取得部と、複数のマススペクトルデータにおいて任意の質量電荷比に対応する信号強度値の二次元分布を示す強度分布データを生成する生成部と、複数の質量電荷比に対応して生成部により生成された複数の強度分布データを記憶する記憶部と、各強度分布データを複数のグループのいずれかに分類するための複数の分類基準のうちいずれかの分類基準の指定を受け付ける分類基準受付部と、分類基準受付部により指定された分類基準に基づいて記憶部に記憶された各強度分布データを複数のグループのいずれかに分類する分類部と、分類部により分類された複数の強度分布データを複数の強度分布画像としてグループごとに区分して表示部に表示させる表示制御部とを備える。 (1) A display processing device according to one aspect of the present invention is a display processing device that performs display processing using a display unit, and acquires an acquisition unit that acquires a plurality of mass spectrum data for a plurality of measurement points of a sample; A generation unit that generates intensity distribution data indicating a two-dimensional distribution of signal intensity values corresponding to an arbitrary mass-to-charge ratio in a plurality of mass spectrum data, and a plurality of units generated by the generation unit corresponding to the plurality of mass-to-charge ratios A storage unit that stores intensity distribution data, a classification standard reception unit that receives designation of any one of a plurality of classification standards for classifying each intensity distribution data into one of a plurality of groups, and a classification standard reception A classification unit for classifying each intensity distribution data stored in the storage unit into one of a plurality of groups based on the classification criteria specified by the unit, and a plurality of classifications by the classification unit Degree distribution data classified into each group of a plurality of intensity distribution image and a display control unit for displaying on the display unit.
　この表示処理装置においては、各強度分布データが複数の分類基準のうち指定されたいずれかの分類基準に基づいて複数のグループのいずれかに分類され、分類された複数の強度分布データが複数の強度分布画像としてグループごとに区分されて表示部に表示される。したがって、強度分布画像の数が膨大であっても、複数の強度分布画像は所望の分類基準に基づいて分類されたグループごとに整理された状態で区分されて表示部に表示される。これにより、使用者は、表示された複数の強度分布画像から所望の強度分布画像を効率よく見出すことができる。 In this display processing device, each intensity distribution data is classified into one of a plurality of groups based on any one of the plurality of classification criteria specified, and the plurality of classified intensity distribution data is a plurality of It is divided into groups as intensity distribution images and displayed on the display unit. Therefore, even if the number of intensity distribution images is enormous, the plurality of intensity distribution images are classified and displayed in a state of being arranged for each group classified based on a desired classification criterion. Thus, the user can efficiently find a desired intensity distribution image from the displayed plurality of intensity distribution images.
　（２）分類基準受付部は、複数の分類基準の指定を受け付け可能に構成され、分類部は、分類基準受付部により指定された複数の分類基準の論理演算に基づいて複数のグループを生成し、記憶部に記憶された各強度分布データを生成された複数のグループのいずれかに分類してもよい。この場合、使用者が指定可能な分類方法が多様化される。それにより、各強度分布データのグループの分類の自由度を向上させることができる。 (2) The classification criterion receiving unit is configured to be able to receive designation of a plurality of classification criteria, and the classification unit generates a plurality of groups based on a logical operation of the plurality of classification criteria designated by the classification criterion receiving unit. The intensity distribution data stored in the storage unit may be classified into any of a plurality of generated groups. In this case, the classification methods that can be specified by the user are diversified. Thereby, the freedom degree of the classification | category of each intensity distribution data group can be improved.
　（３）分類部は、分類基準受付部により指定された複数の分類基準の論理積に基づいて複数のグループを生成し、記憶部に記憶された各強度分布データを生成された複数のグループのいずれかに分類してもよい。この場合、複数の強度分布データが複数の分類基準の組み合わせにより細分化された複数のグループに分類される。これにより、使用者は、複数の強度分布画像から所望の強度分布画像を正確に見出すことができる。 (3) The classification unit generates a plurality of groups based on a logical product of a plurality of classification criteria specified by the classification criterion reception unit, and generates each intensity distribution data stored in the storage unit of the generated plurality of groups. You may classify into either. In this case, the plurality of intensity distribution data is classified into a plurality of groups subdivided by a combination of a plurality of classification criteria. As a result, the user can accurately find a desired intensity distribution image from a plurality of intensity distribution images.
　（４）分類部は、分類基準受付部により指定された複数の分類基準の論理和に基づいて複数のグループを生成し、記憶部に記憶された各強度分布データを生成された複数のグループのいずれかに分類してもよい。この場合、複数の強度分布データが複数の分類基準に基づいて並列的に複数のグループに分類される。これにより、使用者は、複数の強度分布画像から所望の強度分布画像を容易に見出すことができる。 (4) The classification unit generates a plurality of groups based on a logical sum of the plurality of classification criteria specified by the classification criterion reception unit, and generates each intensity distribution data stored in the storage unit of the generated plurality of groups. You may classify into either. In this case, a plurality of intensity distribution data are classified into a plurality of groups in parallel based on a plurality of classification criteria. Thereby, the user can easily find a desired intensity distribution image from a plurality of intensity distribution images.
　（５）表示処理装置は、分類基準受付部により指定された分類基準による複数のグループのうち一または複数のグループの選択を受け付けるグループ受付部と、記憶部に記憶された各強度分布データのうち、グループ受付部により選択された一または複数のグループに属する複数の強度分布データを抽出する抽出部とをさらに備え、表示制御部は、抽出部により抽出された複数の強度分布データを複数の強度分布画像としてグループごとに区分して表示部に表示させてもよい。 (5) The display processing device includes a group reception unit that receives selection of one or a plurality of groups among a plurality of groups based on the classification criteria specified by the classification criterion reception unit, and each intensity distribution data stored in the storage unit An extraction unit that extracts a plurality of intensity distribution data belonging to one or a plurality of groups selected by the group reception unit, and the display control unit outputs the plurality of intensity distribution data extracted by the extraction unit to a plurality of intensities. The distribution image may be divided into groups and displayed on the display unit.
　この場合、所望のグループに属する強度分布画像のみを表示させ、他の不要なグループに属する強度分布画像を非表示にすることができる。これにより、使用者は、表示された複数の強度分布画像から所望の強度分布画像をより効率よく見出すことができる。 In this case, only the intensity distribution images belonging to a desired group can be displayed, and the intensity distribution images belonging to other unnecessary groups can be hidden. As a result, the user can more efficiently find a desired intensity distribution image from the displayed plurality of intensity distribution images.
　（６）複数の分類基準は、測定された試料を特定するための識別情報、試料中の物質を特定する質量電荷比の値、測定に用いられたマトリックスの種類、試料中の物質に起因して現れるピークの種類、およびニュートラルロスのうち２以上の分類基準を含んでもよい。この場合、複数の強度分布画像が識別情報、質量電荷比の値、マトリックスの種類、マススペクトルデータのピークの種類、もしくはニュートラルロスまたはこれらの組み合わせによるグループごとに整理された状態で表示部に表示される。それにより、使用者は、表示された複数の質量分析イメージ強度分布画像から所望の質量分析イメージ強度分布画像をより効率よく見出すことができる。 (6) Multiple classification criteria are attributed to the identification information for specifying the measured sample, the value of the mass-to-charge ratio specifying the substance in the sample, the type of matrix used for the measurement, and the substance in the sample. Two or more classification criteria may be included among the types of peaks that appear and the neutral loss. In this case, multiple intensity distribution images are displayed on the display unit in a state where identification information, mass-to-charge ratio values, matrix types, mass spectral data peak types, or neutral loss or a combination of these are grouped. Is done. Accordingly, the user can more efficiently find a desired mass analysis image intensity distribution image from the displayed plurality of mass analysis image intensity distribution images.
　（７）本発明の他の局面に従うイメージング質量分析システムは、試料の複数の測定点についての複数のマススペクトルデータをそれぞれ生成するイメージング質量分析部と、表示部と、表示部を用いた表示処理を行う本発明の一局面に従う表示処理装置とを備える。 (7) An imaging mass spectrometry system according to another aspect of the present invention includes an imaging mass analysis unit that generates a plurality of mass spectrum data for a plurality of measurement points of a sample, a display unit, and a display process using the display unit. And a display processing device according to one aspect of the present invention.
　このイメージング質量分析システムにおいては、強度分布画像の数が膨大であっても、複数の強度分布画像は所望の分類基準に基づいて分類されたグループごとに整理された状態で区分されて表示部に表示される。これにより、使用者は、表示された複数の強度分布画像から所望の強度分布画像を効率よく見出すことができる。 In this imaging mass spectrometry system, even if the number of intensity distribution images is enormous, a plurality of intensity distribution images are classified in a grouped state based on a desired classification standard and displayed on a display unit. Is displayed. Thus, the user can efficiently find a desired intensity distribution image from the displayed plurality of intensity distribution images.
　（８）本発明のさらに他の局面に従う表示処理方法は、表示部を用いた表示処理を行う表示処理方法であって、試料の複数の測定点についての複数のマススペクトルデータをそれぞれ取得するステップと、複数のマススペクトルデータにおいて一定の質量電荷比に対応する信号強度値の二次元分布を示す強度分布データを生成するステップと、複数の質量電荷比に対応して生成された複数の強度分布データを記憶するステップと、各強度分布データを複数のグループのいずれかに分類するための複数の分類基準のうちいずれかの分類基準の指定を受け付けるステップと、指定された分類基準に基づいて記憶された各強度分布データを複数のグループのいずれかに分類するステップと、分類された複数の強度分布データを複数の強度分布画像としてグループごとに区分して表示部に表示させるステップとを含む。 (8) A display processing method according to still another aspect of the present invention is a display processing method for performing display processing using a display unit, and each of acquiring a plurality of mass spectrum data for a plurality of measurement points of a sample. Generating intensity distribution data indicating a two-dimensional distribution of signal intensity values corresponding to a constant mass-to-charge ratio in a plurality of mass spectrum data, and a plurality of intensity distributions generated corresponding to the plurality of mass-to-charge ratios A step of storing data, a step of accepting designation of one of a plurality of classification criteria for classifying each intensity distribution data into one of a plurality of groups, and storing based on the designated classification criteria Classifying each classified intensity distribution data into one of a plurality of groups and a plurality of classified intensity distribution data as a plurality of intensity distribution images And comprising a step of displaying on the display unit by dividing each group.
　この表示処理方法によれば、強度分布画像の数が膨大であっても、複数の強度分布画像は所望の分類基準に基づいて分類されたグループごとに整理された状態で区分されて表示部に表示される。これにより、使用者は、表示された複数の強度分布画像から所望の強度分布画像を効率よく見出すことができる。 According to this display processing method, even if the number of intensity distribution images is enormous, a plurality of intensity distribution images are classified in a grouped state based on a desired classification criterion and are displayed on the display unit. Is displayed. Thus, the user can efficiently find a desired intensity distribution image from the displayed plurality of intensity distribution images.
　本発明によれば、複数の強度分布画像から所望の強度分布画像を効率よく見出すことが可能になる。 According to the present invention, a desired intensity distribution image can be efficiently found from a plurality of intensity distribution images.
図１は本発明の実施の形態に係る表示処理装置を備えたイメージング質量分析システムの構成を示すブロック図である。FIG. 1 is a block diagram showing a configuration of an imaging mass spectrometry system provided with a display processing apparatus according to an embodiment of the present invention. 図２は図１の生成部により生成される強度分布データに基づく強度分布画像の生成方法を説明するための図である。FIG. 2 is a diagram for explaining a method of generating an intensity distribution image based on the intensity distribution data generated by the generation unit of FIG. 図３は図１の表示部の表示画面の一例を示す図である。FIG. 3 is a diagram showing an example of the display screen of the display unit of FIG. 図４はメインカテゴリが選択される場合の表示画面の一例を示す図である。FIG. 4 is a diagram showing an example of a display screen when the main category is selected. 図５はメインカテゴリが選択される場合の表示画面の一例を示す図である。FIG. 5 is a diagram showing an example of a display screen when the main category is selected. 図６は図５のグルーピング後にフィルタリングが行われる場合の表示画面の一例を示す図である。FIG. 6 is a diagram illustrating an example of a display screen when filtering is performed after the grouping of FIG. 図７は図５のグルーピング後にフィルタリングが行われる場合の表示画面の一例を示す図である。FIG. 7 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG. 図８はサブカテゴリおよび論理積がさらに選択される場合の表示画面の一例を示す図である。FIG. 8 is a diagram illustrating an example of a display screen when a subcategory and a logical product are further selected. 図９はサブカテゴリおよび論理積がさらに選択される場合の表示画面の一例を示す図である。FIG. 9 is a diagram illustrating an example of a display screen when a subcategory and a logical product are further selected. 図１０は図９のグルーピング後にフィルタリングが行われる場合の表示画面の一例を示す図である。FIG. 10 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG. 図１１は図９のグルーピング後にフィルタリングが行われる場合の表示画面の一例を示す図である。FIG. 11 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG. 図１２はサブカテゴリおよび論理和がさらに選択される場合の表示画面の一例を示す図である。FIG. 12 is a diagram showing an example of a display screen when a subcategory and a logical sum are further selected. 図１３はサブカテゴリおよび論理和がさらに選択される場合の表示画面の一例を示す図である。FIG. 13 is a diagram showing an example of a display screen when a subcategory and a logical sum are further selected. 図１４は図１３のグルーピング後にフィルタリングが行われる場合の表示画面の一例を示す図である。FIG. 14 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG. 図１５は図１３のグルーピング後にフィルタリングが行われる場合の表示画面の一例を示す図である。FIG. 15 is a diagram showing an example of a display screen when filtering is performed after the grouping of FIG. 図１６は表示処理プログラムにより行われる表示処理のアルゴリズムを示すフローチャートである。FIG. 16 is a flowchart showing an algorithm of display processing performed by the display processing program. 図１７は図１６のステップＳ７におけるサブカテゴリに基づく分類のアルゴリズムを示すフローチャートである。FIG. 17 is a flowchart showing the classification algorithm based on the subcategory in step S7 of FIG.
　以下、本発明の実施の形態に係る表示処理装置、それを備えたイメージング質量分析システムおよび表示処理方法について図面を参照しながら詳細に説明する。 Hereinafter, a display processing device according to an embodiment of the present invention, an imaging mass spectrometry system including the display processing device, and a display processing method will be described in detail with reference to the drawings.
　（１）イメージング質量分析システムの構成
　図１は、本発明の実施の形態に係る表示処理装置を備えたイメージング質量分析システムの構成を示すブロック図である。図１に示すように、イメージング質量分析システム１００は、表示処理装置１０、イメージング質量分析部２０、操作部３０および表示部４０を備える。 (1) Configuration of Imaging Mass Spectrometry System FIG. 1 is a block diagram showing a configuration of an imaging mass spectrometry system provided with a display processing apparatus according to an embodiment of the present invention. As shown in FIG. 1, the imaging mass spectrometry system 100 includes a display processing device 10, an imaging mass analysis unit 20, an operation unit 30 and a display unit 40.
　イメージング質量分析部２０は、レーザ光照射部、イオントラップ、飛行時間型質量分析器、およびイオン検出器等を含む。レーザ光照射部は、試料の任意の部分にレーザ光を照射する。イオントラップは、レーザ光の照射により発生したイオンを保持する。飛行時間型質量分析器は、保持されたイオンを質量電荷比に応じて分離する。イオン検出器は、分離されたイオンの強度値を検出する。イオン検出器の出力信号の値が信号強度値であり、信号強度値はイオン強度値に対応する。このイメージング質量分析部２０は、試料の所望の二次元領域内の複数の測定点についてのマススペクトルデータを生成する。各マススペクトルデータは、各測定点について、質量電荷比の所定範囲における質量電荷比（ｍ／ｚ）と信号強度値（イオン強度値）との関係を示すデータである。 The imaging mass spectrometer 20 includes a laser beam irradiator, an ion trap, a time-of-flight mass analyzer, and an ion detector. The laser beam irradiation unit irradiates an arbitrary part of the sample with the laser beam. The ion trap holds ions generated by laser light irradiation. The time-of-flight mass analyzer separates the retained ions according to the mass to charge ratio. The ion detector detects the intensity value of the separated ions. The value of the output signal of the ion detector is the signal intensity value, and the signal intensity value corresponds to the ion intensity value. The imaging mass spectrometer 20 generates mass spectrum data for a plurality of measurement points in a desired two-dimensional region of the sample. Each mass spectrum data is data indicating a relationship between a mass-to-charge ratio (m / z) and a signal intensity value (ion intensity value) in a predetermined range of the mass-to-charge ratio at each measurement point.
　操作部３０は、例えばマウス等のポインティングデバイスおよびキーボードを含み、表示処理装置１０に指示を与えるために使用者により操作される。表示部４０は、例えばＬＣＤ（液晶ディスプレイ）パネルまたは有機ＥＬ（エレクトロルミネッセンス）パネルを含み、複数のマススペクトルデータに基づいて強度分布画像を表示する。ここで、強度分布画像は、任意の質量電荷比に対応する信号強度値の二次元分布を示す画像である。信号強度値はイオン強度値に対応する。強度分布画像を構成する複数の画素が複数の測定点に対応し、各画素に対応する信号強度値が例えば色の濃淡で表される。強度分布画像の生成方法については後述する。 The operation unit 30 includes, for example, a pointing device such as a mouse and a keyboard, and is operated by a user to give an instruction to the display processing device 10. The display unit 40 includes, for example, an LCD (liquid crystal display) panel or an organic EL (electroluminescence) panel, and displays an intensity distribution image based on a plurality of mass spectrum data. Here, the intensity distribution image is an image showing a two-dimensional distribution of signal intensity values corresponding to an arbitrary mass-to-charge ratio. The signal intensity value corresponds to the ion intensity value. A plurality of pixels constituting the intensity distribution image correspond to a plurality of measurement points, and a signal intensity value corresponding to each pixel is represented by, for example, color shading. A method for generating the intensity distribution image will be described later.
　表示処理装置１０は、例えばパーソナルコンピュータと表示処理プログラムとにより実現される。パーソナルコンピュータは、ＣＰＵ（中央演算処理装置）、ＲＡＭ（ランダムアクセスメモリ）、ＲＯＭ（リードオンリメモリ）および記憶装置等により構成される。 The display processing device 10 is realized by, for example, a personal computer and a display processing program. The personal computer includes a CPU (Central Processing Unit), a RAM (Random Access Memory), a ROM (Read Only Memory), a storage device, and the like.
　表示処理装置１０は、取得部１１、生成部１２、記憶部１３、分類基準受付部１４、分類部１５、グループ受付部１６、抽出部１７および表示制御部１８を含む。パーソナルコンピュータのＣＰＵがＲＯＭまたは記憶装置等の記憶媒体（記録媒体）に記憶された表示処理プログラムを実行することにより、図１の構成要素（１１～１８）の機能が実現される。なお、図１の構成要素（１１～１８）の一部または全てが電子回路等のハードウエアにより構成されてもよい。 The display processing device 10 includes an acquisition unit 11, a generation unit 12, a storage unit 13, a classification reference reception unit 14, a classification unit 15, a group reception unit 16, an extraction unit 17, and a display control unit 18. The functions of the components (11 to 18) in FIG. 1 are realized by the CPU of the personal computer executing a display processing program stored in a storage medium (recording medium) such as a ROM or a storage device. Note that some or all of the components (11 to 18) in FIG. 1 may be configured by hardware such as an electronic circuit.
　取得部１１は、イメージング質量分析部２０により生成された試料の複数の測定点についてのマススペクトルデータを取得する。生成部１２は、各試料の測定ごとに取得部１１により取得された複数のマススペクトルデータに基づいて指定された質量電荷比に対応する信号強度値の二次元分布を示す強度分布データを生成する。記憶部１３は、複数の質量電荷比に対応して生成部１２により生成された複数の強度分布データを記憶する。この場合、測定に用いられる試料が同一の試料であるか異なる試料であるかにかかわらず、試料の測定ごとに生成される一または複数の複数の強度分布データがデータファイルとして記憶される。各データファイルには、ファイル番号またはファイル名等の固有の識別情報が付与される。 The acquisition unit 11 acquires mass spectrum data for a plurality of measurement points of the sample generated by the imaging mass analysis unit 20. The generation unit 12 generates intensity distribution data indicating a two-dimensional distribution of signal intensity values corresponding to a mass-to-charge ratio designated based on a plurality of mass spectrum data acquired by the acquisition unit 11 for each measurement of each sample. . The storage unit 13 stores a plurality of intensity distribution data generated by the generation unit 12 corresponding to a plurality of mass to charge ratios. In this case, regardless of whether the samples used for the measurement are the same sample or different samples, one or a plurality of intensity distribution data generated for each measurement of the sample is stored as a data file. Each data file is given unique identification information such as a file number or a file name.
　強度分布データが特定の化合物の質量電荷比の値に対応する信号強度値により生成される場合には、その強度分布データは化合物の種類または質量電荷比の値を示す情報を含む。強度分布データが特定の化合物に起因して現れるピークに対応する信号強度値により生成される場合には、その強度分布データは特定の化合物に起因して現れるピークの種類を示す情報を含む。特定の化合物に起因して現れるピークとは、例えば、フラグメントピーク、同位体ピーク、アダクトイオンピーク、または多量体ピークである。また、各強度分布データは、特定の化合物のニュートラルロスを示す情報を含んでもよい。さらに、試料の測定にマトリックスが用いられた場合には、各強度分布データは、マトリックスの種類を示す情報を含む。 When the intensity distribution data is generated with a signal intensity value corresponding to the mass to charge ratio value of a specific compound, the intensity distribution data includes information indicating the type of compound or the mass to charge ratio value. When the intensity distribution data is generated with a signal intensity value corresponding to a peak appearing due to a specific compound, the intensity distribution data includes information indicating the type of peak appearing due to the specific compound. The peak that appears due to a specific compound is, for example, a fragment peak, an isotope peak, an adduct ion peak, or a multimeric peak. Each intensity distribution data may include information indicating the neutral loss of a specific compound. Furthermore, when a matrix is used for measurement of the sample, each intensity distribution data includes information indicating the type of the matrix.
　分類基準受付部１４は、使用者による操作部３０の操作に基づいて、各強度分布データを複数のグループのいずれかに分類（グルーピング）するための複数の分類基準のうちいずれかの分類基準の指定を受け付ける。分類基準は、例えば、データファイルの識別情報、試料中の化合物の種類を特定する質量電荷比の値、測定に用いられたマトリックスの種類、試料中の同一化合物に起因して現れるピークの種類、および同一化合物のニュートラルロスを含む。上記のように、試料中の同一化合物に起因して現れるピークの種類は、例えば、フラグメントピーク、同位体ピーク、アダクトイオンピーク、および多量体ピークを含む。 The classification criterion receiving unit 14 is configured to select one of the plurality of classification criteria for classifying (grouping) each intensity distribution data into one of a plurality of groups based on the operation of the operation unit 30 by the user. Accept specification. Classification criteria include, for example, data file identification information, mass-to-charge ratio values that specify the type of compound in the sample, the type of matrix used in the measurement, the type of peak that appears due to the same compound in the sample, And neutral loss of the same compound. As described above, the types of peaks that appear due to the same compound in the sample include, for example, a fragment peak, an isotope peak, an adduct ion peak, and a multimer peak.
　分類基準受付部１４は、複数（本実施の形態においては２つ）の分類基準の指定を受け付け可能である。以下の説明においては、最初に受け付けられる分類基準をメインカテゴリと呼び、その後に受け付けられる分類基準をサブカテゴリと呼ぶ。分類基準受付部１４は、サブカテゴリを受け付けた場合には、メインカテゴリとサブカテゴリとの関係を特定するための論理（論理演算）をさらに受け付ける。論理は、論理積（ＡＮＤ）および論理和（ＯＲ）を含む。 The classification standard accepting unit 14 can accept designation of a plurality of (two in the present embodiment) classification standards. In the following description, the classification standard accepted first is called a main category, and the classification standard accepted thereafter is called a subcategory. When receiving the subcategory, the classification reference receiving unit 14 further receives logic (logical operation) for specifying the relationship between the main category and the subcategory. Logic includes logical product (AND) and logical sum (OR).
　分類部１５は、分類基準受付部１４によりメインカテゴリが指定された場合には、指定されたメインカテゴリに基づいて、記憶部１３に記憶された各強度分布データを複数のグループのいずれかに分類する。また、分類基準受付部１４によりサブカテゴリおよび論理がさらに指定された場合には、指定されたサブカテゴリおよび論理に基づいて、グループごとの各強度分布データのさらなる分類を行う。これにより、使用者が指定可能な分類方法が多様化され、各強度分布データのグループの分類の自由度を向上させることができる。 The classification unit 15 classifies each intensity distribution data stored in the storage unit 13 into one of a plurality of groups based on the designated main category when the main category is designated by the classification reference receiving unit 14. To do. Further, when the subcategory and logic are further designated by the classification reference accepting unit 14, further classification of each intensity distribution data for each group is performed based on the designated subcategory and logic. As a result, the classification methods that can be specified by the user are diversified, and the degree of freedom of classification of groups of each intensity distribution data can be improved.
　具体的には、分類部１５は、サブカテゴリと論理積とが指定された場合には、メインカテゴリの各グループに分類された強度分布データを当該グループ内でサブカテゴリの複数のグループのいずれかに分類する。この場合、複数の強度分布データがメインカテゴリおよびサブカテゴリの組み合わせにより細分化された複数のグループに分類される。 Specifically, when a subcategory and a logical product are designated, the classification unit 15 classifies the intensity distribution data classified into each group of the main category into any of a plurality of subcategories within the group. To do. In this case, the plurality of intensity distribution data are classified into a plurality of groups subdivided by a combination of the main category and the subcategory.
　一方で、分類部１５は、サブカテゴリと論理和とが指定された場合には、記憶部１３に記憶された各強度分布データをサブカテゴリの複数のグループのいずれかにさらに分類し、分類されたグループをメインカテゴリのグループに追加する。この場合、複数の強度分布データがメインカテゴリおよびサブカテゴリに基づいて並列的に複数のグループに分類される。 On the other hand, when the subcategory and the logical sum are designated, the classification unit 15 further classifies each intensity distribution data stored in the storage unit 13 into one of a plurality of groups of subcategories, and the classified groups To the main category group. In this case, the plurality of intensity distribution data are classified into a plurality of groups in parallel based on the main category and the subcategory.
　グループ受付部１６は、使用者による操作部３０の操作に基づいて、分類基準受付部１４により指定された分類基準による複数のグループのうち一または複数のグループの選択を受け付ける。グループ受付部１６は、メインカテゴリおよびサブカテゴリの両方によるグループの選択を受け付けてもよいし、メインカテゴリのみまたはサブカテゴリのみによるグループの選択を受け付けてもよい。 The group reception unit 16 receives selection of one or more groups among a plurality of groups based on the classification criteria specified by the classification criteria reception unit 14 based on the operation of the operation unit 30 by the user. The group reception unit 16 may receive selection of a group based on both the main category and the sub category, or may accept selection of a group based on only the main category or only the sub category.
　抽出部１７は、分類部１５によりグループに分類された各強度分布データのうち、グループ受付部１６により選択された一または複数のグループに属する複数の強度分布データを抽出（フィルタリング）する。 The extraction unit 17 extracts (filters) a plurality of intensity distribution data belonging to one or a plurality of groups selected by the group reception unit 16 from the intensity distribution data classified into groups by the classification unit 15.
　表示制御部１８は、分類部１５により分類された複数の強度分布データをそれぞれ複数の強度分布画像としてグループごとに区分して表示部４０に表示させる。また、表示制御部１８は、抽出部１７により強度分布データの抽出が行われた場合には、抽出された複数の強度分布データを複数の強度分布画像としてグループごとに区分して表示部４０に表示させる。 The display control unit 18 classifies the plurality of intensity distribution data classified by the classification unit 15 into a plurality of intensity distribution images for each group and causes the display unit 40 to display them. Further, when the extraction unit 17 extracts the intensity distribution data, the display control unit 18 classifies the extracted plurality of intensity distribution data into a plurality of intensity distribution images for each group, and displays the display unit 40. Display.
　図２は、図１の生成部１２により生成される強度分布データに基づく強度分布画像の生成方法を説明するための図である。図２に示すように、試料１の表面における所望の二次元領域２内に複数の測定点３が設定されている。図２には、図１のイメージング質量分析部２０により複数の測定点３について生成されたマススペクトルデータのうち、３つの測定点３に対応するマススペクトルデータＭＳＤ１，ＭＳＤ２，ＭＳＤ３が例示される。例示された３つのマススペクトルデータＭＳＤ１，ＭＳＤ２，ＭＳＤ３においては、一定の質量電荷比ｍ／ｚの値Ｍにおけるイオン強度値はそれぞれＩ１，Ｉ２，Ｉ３である。 FIG. 2 is a diagram for explaining a method of generating an intensity distribution image based on the intensity distribution data generated by the generation unit 12 of FIG. As shown in FIG. 2, a plurality of measurement points 3 are set in a desired two-dimensional region 2 on the surface of the sample 1. FIG. 2 illustrates mass spectrum data MSD1, MSD2, and MSD3 corresponding to three measurement points 3 among the mass spectrum data generated for a plurality of measurement points 3 by the imaging mass analyzer 20 of FIG. In the three illustrated mass spectrum data MSD1, MSD2, and MSD3, the ion intensity values at a constant mass-to-charge ratio m / z value M are I1, I2, and I3, respectively.
　生成部１２は、各測定点３における質量電荷比ｍ／ｚの値Ｍに対応するイオン強度値を、例えば色の濃淡を示すデータ値に変換し、変換されたデータ値を試料１上の各測定点３の二次元的な位置に対応付けて配列する。これにより、強度分布データが生成される。生成された強度分布データに基づいて、図１の表示部４０に強度分布画像を表示することができる。図２の例では、強度分布画像ＩＤＩにおける色の濃淡が複数のドットパターンおよびハッチングパターンにより示される。以降に図示される強度分布画像においても同様である。 The generation unit 12 converts the ion intensity value corresponding to the value M of the mass-to-charge ratio m / z at each measurement point 3 into, for example, a data value indicating color shading, and converts the converted data value on each sample 1 The measurement points 3 are arranged in association with the two-dimensional positions. Thereby, intensity distribution data is generated. Based on the generated intensity distribution data, an intensity distribution image can be displayed on the display unit 40 of FIG. In the example of FIG. 2, the color density in the intensity distribution image IDI is indicated by a plurality of dot patterns and hatching patterns. The same applies to the intensity distribution images shown below.
　（２）表示部の表示例
　（ａ）メインカテゴリの選択
　図３は、図１の表示部４０の表示画面の一例を示す図である。図３に示すように、表示部４０の表示画面４１には、グルーピングを行うためのプルダウンメニュー４２ａ，４２ｂ，４２ｃが表示される。使用者は、図１の操作部３０を用いてプルダウンメニュー４２ａ～４２ｃを操作することにより、それぞれメインカテゴリ、サブカテゴリおよび論理の種類を指定することができる。なお、表示画面４１には、プルダウンメニュー４２ａ～４２ｃに代えて、同様の機能を有するチェックボックス等が表示されてもよい。後述するプルダウンメニュー４３ａ，４３ｂについても同様である。 (2) Display Example of Display Unit (a) Selection of Main Category FIG. 3 is a diagram illustrating an example of a display screen of the display unit 40 in FIG. As shown in FIG. 3, pull-down menus 42a, 42b, and 42c for grouping are displayed on the display screen 41 of the display unit 40. The user can designate the main category, subcategory, and logic type by operating the pull-down menus 42a to 42c using the operation unit 30 of FIG. In addition, on the display screen 41, check boxes having similar functions may be displayed instead of the pull-down menus 42a to 42c. The same applies to pull-down menus 43a and 43b described later.
　図４および図５は、メインカテゴリが選択される場合の表示画面の一例を示す図である。図４に示すように、使用者は、プルダウンメニュー４２ａを操作することにより、所望のメインカテゴリをプルダウンメニュー４２ａから選択する。本例では、「データファイル」（ファイル番号）、「ｍ／ｚ」（質量電荷比）、「マトリックス」、「フラグメント」、「同位体」、「アダクトイオン」、「ニュートラルロス」または「多量体」をメインカテゴリとして選択可能である。 4 and 5 are diagrams showing examples of display screens when the main category is selected. As shown in FIG. 4, the user operates the pull-down menu 42a to select a desired main category from the pull-down menu 42a. In this example, “data file” (file number), “m / z” (mass-to-charge ratio), “matrix”, “fragment”, “isotope”, “adduct ion”, “neutral loss” or “multimer” Can be selected as the main category.
　図４の例では、メインカテゴリとして「ｍ／ｚ」が選択され、サブカテゴリが選択されない。この状態で、操作部３０により所定の操作（以下、決定操作と呼ぶ。）が行われることにより、同一の「ｍ／ｚ」に対応する強度分布データが同一のグループに分類され、図５に示すように、分類された複数の強度分布データがそれぞれ複数の強度分布画像としてグループごとに区分されて表示画面４１に並ぶように表示される。 In the example of FIG. 4, “m / z” is selected as the main category, and no subcategory is selected. In this state, when a predetermined operation (hereinafter referred to as a determination operation) is performed by the operation unit 30, the intensity distribution data corresponding to the same “m / z” is classified into the same group. As shown in the drawing, the plurality of classified intensity distribution data are displayed as a plurality of intensity distribution images that are divided into groups and arranged on the display screen 41.
　図５の例では、「ｍ／ｚ」が「１００」、「２００」、「３００」および「４００」である複数の強度分布データがグループＧ１，Ｇ２，Ｇ３，Ｇ４にそれぞれ分類される。グループＧ１～Ｇ４に属する強度分布画像の表示領域が表示画面４１の縦方向に並ぶように配列される。各グループＧ１～Ｇ４の表示領域において、分類された強度分布データに対応する複数の強度分布画像が横方向に並ぶように表示される。 In the example of FIG. 5, a plurality of intensity distribution data whose “m / z” is “100”, “200”, “300”, and “400” are classified into groups G1, G2, G3, and G4, respectively. The display areas of the intensity distribution images belonging to the groups G1 to G4 are arranged so as to be aligned in the vertical direction of the display screen 41. In the display areas of the groups G1 to G4, a plurality of intensity distribution images corresponding to the classified intensity distribution data are displayed so as to be arranged in the horizontal direction.
　また、図５の例では、表示画面４１にフィルタリングを行うためのプルダウンメニュー４３ａ，４３ｂがさらに表示される。使用者は、操作部３０を用いてプルダウンメニュー４３ａを操作することにより、選択されたメインカテゴリについての抽出基準となる値または種類を指定することができる。プルダウンメニューについては後述する。なお、図５ならびに後述する図６および図７の例ではサブカテゴリが指定されないので、表示画面４１にプルダウンメニュー４２ｂ，４２ｃ，４３ｂが表示されなくてもよい。 In the example of FIG. 5, pull-down menus 43a and 43b for performing filtering are further displayed on the display screen 41. The user can specify a value or type as an extraction criterion for the selected main category by operating the pull-down menu 43a using the operation unit 30. The pull-down menu will be described later. 5 and FIG. 6 and FIG. 7 to be described later, the subcategory is not specified, so that the pull-down menus 42b, 42c, and 43b may not be displayed on the display screen 41.
　図６および図７は、図５のグルーピング後にフィルタリングが行われる場合の表示画面の一例を示す図である。図６に示すように、使用者は、プルダウンメニュー４３ａを操作することにより、選択されたメインカテゴリについての抽出基準となる値または種類をプルダウンメニュー４３ａから選択する。本例では、「ｍ／ｚ」についての抽出基準となる値として、例えば「１００」、「２００」、「３００」または「４００」等を選択可能である。 6 and 7 are diagrams showing examples of display screens when filtering is performed after the grouping in FIG. As shown in FIG. 6, the user operates the pull-down menu 43a to select a value or type as an extraction criterion for the selected main category from the pull-down menu 43a. In this example, “100”, “200”, “300”, “400”, or the like can be selected as a value as an extraction criterion for “m / z”.
　図６の例では、「ｍ／ｚ」についての抽出基準となる値「２００」および「３００」が選択される。この状態で、決定操作が行われることにより、「ｍ／ｚ」が「２００」または「３００」である複数の強度分布データが抽出され、図７に示すように、抽出された強度分布データがそれぞれ複数の強度分布画像としてグループごとに区分されて表示画面４１に並ぶように表示される。図７の例では、「ｍ／ｚ」の「２００」および「３００」にそれぞれ対応するグループＧ２，Ｇ３に属する強度分布画像のみが表示領域に表示される。 In the example of FIG. 6, the values “200” and “300” that are the extraction criteria for “m / z” are selected. By performing the determination operation in this state, a plurality of intensity distribution data whose “m / z” is “200” or “300” is extracted. As shown in FIG. Each of the images is divided into groups as a plurality of intensity distribution images and displayed on the display screen 41. In the example of FIG. 7, only the intensity distribution images belonging to the groups G2 and G3 respectively corresponding to “200” and “300” of “m / z” are displayed in the display area.
　（ｂ）サブカテゴリおよび論理積の選択
　図８および図９は、サブカテゴリおよび論理積がさらに選択される場合の表示画面の一例を示す図である。図４のメインカテゴリの選択の後、図８に示すように、使用者は、プルダウンメニュー４２ｂを操作することにより、所望のサブカテゴリの種類をプルダウンメニュー４２ａから選択する。本例では、メインカテゴリである「ｍ／ｚ」を除く、「データファイル」、「マトリックス」、「フラグメント」、「同位体」、「アダクトイオン」、「ニュートラルロス」または「多量体」をサブカテゴリとして選択可能である。 (B) Selection of Subcategory and Logical Product FIGS. 8 and 9 are diagrams illustrating an example of a display screen when a subcategory and a logical product are further selected. After the selection of the main category in FIG. 4, as shown in FIG. 8, the user operates the pull-down menu 42b to select the desired subcategory type from the pull-down menu 42a. In this example, “data file”, “matrix”, “fragment”, “isotope”, “adduct ion”, “neutral loss” or “multimer” are excluded from the main category “m / z”. Can be selected.
　また、使用者は、プルダウンメニュー４２ｃを操作することにより、論理の種類をプルダウンメニュー４２ｃから選択する。本例では、「ＡＮＤ」（論理積）または「ＯＲ」（論理和）を論理として選択可能である。 Also, the user operates the pull-down menu 42c to select the logic type from the pull-down menu 42c. In this example, “AND” (logical product) or “OR” (logical sum) can be selected as logic.
　図８の例では、サブカテゴリおよび論理として「データファイル」および「ＡＮＤ」がそれぞれ選択される。この状態で、決定操作が行われることにより、同一の「ｍ／ｚ」に対応する強度分布データが「データファイル」ごとのグループにさらに分類され、図９に示すように、分類された複数の強度分布データがそれぞれ複数の強度分布画像としてグループごとに区分されて表示画面４１に並ぶように表示される。図９のグループＧ１～Ｇ４の表示領域は、図５のグループＧ１～Ｇ４の表示領域と同様である。 In the example of FIG. 8, “data file” and “AND” are selected as the subcategory and logic, respectively. In this state, by performing the determination operation, the intensity distribution data corresponding to the same “m / z” is further classified into groups for each “data file”, and as shown in FIG. The intensity distribution data is displayed as being divided into groups as a plurality of intensity distribution images and arranged on the display screen 41. The display areas of the groups G1 to G4 in FIG. 9 are the same as the display areas of the groups G1 to G4 in FIG.
　図９の例では、「ｍ／ｚ」が「１００」であるグループＧ１内において、データファイルのファイル番号が「Ｆ１」、「Ｆ２」および「Ｆ３」である複数の強度分布データがグループＧ１１，Ｇ１２，Ｇ１３にそれぞれ分類される。グループＧ１の表示領域には、複数のグループＧ１１，Ｇ１２，Ｇ１３にそれぞれ対応する複数の副表示領域が横方向に並ぶように設けられる。各グループＧ１１，Ｇ１２，Ｇ１３の副表示領域には、分類された強度分布データに対応する複数の強度分布画像が横方向に並ぶように表示される。 In the example of FIG. 9, in the group G1 whose “m / z” is “100”, a plurality of intensity distribution data whose file numbers are “F1”, “F2”, and “F3” are group G11, They are classified into G12 and G13, respectively. In the display area of the group G1, a plurality of sub display areas respectively corresponding to the plurality of groups G11, G12, and G13 are provided in the horizontal direction. In the sub display areas of the groups G11, G12, and G13, a plurality of intensity distribution images corresponding to the classified intensity distribution data are displayed so as to be arranged in the horizontal direction.
　同様に、グループＧ２内において、ファイル番号が「Ｆ１」、「Ｆ２」および「Ｆ３」である複数の強度分布データがグループＧ２１，Ｇ２２，Ｇ２３にそれぞれ分類される。グループＧ３内において、ファイル番号が「Ｆ１」、「Ｆ２」および「Ｆ３」である複数の強度分布データがグループＧ３１，Ｇ３２，Ｇ３３にそれぞれ分類される。グループＧ４内において、ファイル番号が「Ｆ１」、「Ｆ２」および「Ｆ３」である複数の強度分布データがグループＧ４１，Ｇ４２，Ｇ４３にそれぞれ分類される。各グループＧ２～Ｇ４における副表示領域の表示態様は、グループＧ１における副表示領域の表示態様と同様である。 Similarly, in the group G2, a plurality of intensity distribution data whose file numbers are “F1”, “F2”, and “F3” are classified into groups G21, G22, and G23, respectively. Within the group G3, a plurality of intensity distribution data whose file numbers are “F1”, “F2” and “F3” are classified into groups G31, G32 and G33, respectively. Within the group G4, a plurality of intensity distribution data whose file numbers are “F1”, “F2”, and “F3” are classified into groups G41, G42, and G43, respectively. The display mode of the sub display area in each of the groups G2 to G4 is the same as the display mode of the sub display area in the group G1.
　図１０および図１１は、図９のグルーピング後にフィルタリングが行われる場合の表示画面の一例を示す図である。図１０のプルダウンメニュー４３ａの操作内容は、図６のプルダウンメニュー４３ａの操作内容と同様である。図１０に示すように、使用者は、プルダウンメニュー４３ｂをさらに操作することにより、選択されたサブカテゴリについての抽出基準となる値または種類をプルダウンメニュー４３ｂから選択する。本例では、「ファイルデータ」についての抽出基準となる種類として、例えばファイル番号「Ｆ１」、「Ｆ２」、「Ｆ３」または「Ｆ４」等を選択可能である。 10 and 11 are diagrams illustrating an example of a display screen when filtering is performed after the grouping in FIG. The operation content of the pull-down menu 43a in FIG. 10 is the same as the operation content of the pull-down menu 43a in FIG. As shown in FIG. 10, the user further operates the pull-down menu 43b to select a value or type as an extraction criterion for the selected subcategory from the pull-down menu 43b. In this example, the file number “F1”, “F2”, “F3”, “F4”, or the like can be selected, for example, as the type serving as the extraction criterion for “file data”.
　図１０の例では、「ｍ／ｚ」についての抽出基準となる値「２００」および「３００」が選択され、「ファイルデータ」についての抽出基準となる種類「Ｆ２」および「Ｆ３」が選択される。この状態で、決定操作が行われることにより、「ｍ／ｚ」が「２００」または「３００」でかつ「ファイルデータ」が「Ｆ２」または「Ｆ３」である複数の強度分布データが抽出される。これにより、図１１に示すように、抽出された強度分布データがそれぞれ複数の強度分布画像としてグループごとに区分されて表示画面４１に並ぶように表示される。 In the example of FIG. 10, values “200” and “300” that are extraction criteria for “m / z” are selected, and types “F2” and “F3” that are extraction criteria for “file data” are selected. The In this state, by performing the determination operation, a plurality of intensity distribution data whose “m / z” is “200” or “300” and whose “file data” is “F2” or “F3” are extracted. . As a result, as shown in FIG. 11, the extracted intensity distribution data is displayed as a plurality of intensity distribution images divided into groups and arranged on the display screen 41.
　図１１の例では、「ｍ／ｚ」が「２００」および「３００」にそれぞれ対応するグループＧ２，Ｇ３に属する強度分布画像のみが表示領域に表示される。グループＧ２においては、「ファイルデータ」が「Ｆ２」または「Ｆ３」にそれぞれ対応するグループＧ２２，Ｇ２３に属する強度分布画像のみが副表示領域に表示される。グループＧ３においては、「ファイルデータ」が「Ｆ２」または「Ｆ３」にそれぞれ対応するグループＧ３２，Ｇ３３に属する強度分布画像のみが副表示領域に表示される。 In the example of FIG. 11, only the intensity distribution images belonging to the groups G2 and G3 corresponding to “m / z” “200” and “300” are displayed in the display area. In the group G2, only the intensity distribution images belonging to the groups G22 and G23 whose “file data” respectively correspond to “F2” or “F3” are displayed in the sub display area. In the group G3, only the intensity distribution images belonging to the groups G32 and G33 whose “file data” corresponds to “F2” or “F3” are displayed in the sub display area.
　（ｃ）サブカテゴリおよび論理和の選択
　図１２および図１３は、サブカテゴリおよび論理和がさらに選択される場合の表示画面の一例を示す図である。図１２の例では、プルダウンメニュー４２ａからメインカテゴリとして「フラグメント」が選択される。また、プルダウンメニュー４２ｂからサブカテゴリとして「アダクトイオン」が選択される。さらに、プルダウンメニュー４２ｃから論理として「ＯＲ」が選択される。 (C) Selection of subcategory and logical sum FIGS. 12 and 13 are diagrams illustrating an example of a display screen when a subcategory and a logical sum are further selected. In the example of FIG. 12, “fragment” is selected as the main category from the pull-down menu 42a. “Adduct ion” is selected as a subcategory from the pull-down menu 42b. Further, “OR” is selected as the logic from the pull-down menu 42c.
　この状態で、決定操作が行われることにより、同一の「フラグメント」に対応する強度分布データが同一のグループに分類され、同一の「アダクトイオン」に対応する強度分布データが同一のグループに分類される。また、分類された「アダクトイオン」のグループが、同一化合物に対応する「フラグメント」のグループに追加される。これにより、図１３に示すように、分類された複数の強度分布データがそれぞれ複数の強度分布画像としてグループごとに区分されて表示画面４１に並ぶように表示される。 By performing the determination operation in this state, the intensity distribution data corresponding to the same “fragment” is classified into the same group, and the intensity distribution data corresponding to the same “adduct ion” is classified into the same group. The The grouped “adduct ion” group is added to the “fragment” group corresponding to the same compound. As a result, as shown in FIG. 13, the plurality of classified intensity distribution data are displayed as a plurality of intensity distribution images that are divided into groups and arranged on the display screen 41.
　図１３の例では、第１～第４の化合物にそれぞれ対応してグループＧ１００，Ｇ２００，Ｇ３００，Ｇ４００が設けられる。グループＧ１００～Ｇ４００に属する強度分布画像の表示領域が表示画面４１の縦方向に並ぶように配列される。 In the example of FIG. 13, groups G100, G200, G300, and G400 are provided corresponding to the first to fourth compounds, respectively. The display areas of the intensity distribution images belonging to the groups G100 to G400 are arranged so as to be aligned in the vertical direction of the display screen 41.
　第１の化合物のグループＧ１００内においては、「フラグメント」が「ｆｒ１」である複数の強度分布データのグループＧ１０１に、「アダクトイオン」が「ａｄ１」である複数の強度分布データのグループＧ１０２が追加される。グループＧ１００の表示領域には、複数のグループＧ１０１，Ｇ１０２にそれぞれ対応する複数の副表示領域が横方向に並ぶように設けられる。各グループＧ１０１，Ｇ１０２の副表示領域には、分類された強度分布データに対応する複数の強度分布画像が横方向に並ぶように表示される。 In the first compound group G100, a plurality of intensity distribution data groups G102 whose “adduct ions” are “ad1” are added to a plurality of intensity distribution data groups G101 whose “fragments” are “fr1”. Is done. In the display area of the group G100, a plurality of sub display areas respectively corresponding to the plurality of groups G101 and G102 are provided so as to be arranged in the horizontal direction. In the sub display areas of the groups G101 and G102, a plurality of intensity distribution images corresponding to the classified intensity distribution data are displayed so as to be arranged in the horizontal direction.
　同様に、グループＧ２００内において、「フラグメント」が「ｆｒ２」である複数の強度分布データのグループＧ２０１に、「アダクトイオン」が「ａｄ２」である複数の強度分布データのグループＧ２０２が追加される。グループＧ３００内において、「フラグメント」が「ｆｒ３」である複数の強度分布データのグループＧ３０１に、「アダクトイオン」が「ａｄ３」である複数の強度分布データのグループＧ３０２が追加される。グループＧ４００内において、「フラグメント」が「ｆｒ４」である複数の強度分布データのグループＧ４０１に、「アダクトイオン」が「ａｄ４」である複数の強度分布データのグループＧ４０２が追加される。各グループＧ２００～Ｇ４００における副表示領域の表示態様は、グループＧ１００における副表示領域の表示態様と同様である。 Similarly, in the group G200, a plurality of intensity distribution data groups G202 whose “adduct ions” are “ad2” are added to a plurality of intensity distribution data groups G201 whose “fragments” are “fr2”. In the group G300, a plurality of intensity distribution data groups G302 whose “adduct ions” are “ad3” are added to a plurality of intensity distribution data groups G301 whose “fragment” is “fr3”. In the group G400, a plurality of intensity distribution data groups G402 whose “adduct ions” are “ad4” are added to a plurality of intensity distribution data groups G401 whose “fragment” is “fr4”. The display mode of the sub display area in each of the groups G200 to G400 is the same as the display mode of the sub display area in the group G100.
　図１４および図１５は、図１３のグルーピング後にフィルタリングが行われる場合の表示画面の一例を示す図である。図１４に示すように、「フラグメント」についての抽出基準となる種類として、例えば「ｆｒ１」、「ｆｒ２」、「ｆｒ３」または「ｆｒ４」等をプルダウンメニュー４３ａから選択可能である。また、「アダクトイオン」についての抽出基準となる種類として、例えば「ａｄ１」、「ａｄ２」、「ａｄ３」または「ａｄ４」等をプルダウンメニュー４３ｂから選択可能である。 FIG. 14 and FIG. 15 are diagrams illustrating an example of a display screen when filtering is performed after the grouping of FIG. As shown in FIG. 14, for example, “fr1”, “fr2”, “fr3”, “fr4”, and the like can be selected from the pull-down menu 43a as the types that serve as extraction criteria for “fragment”. In addition, for example, “ad1”, “ad2”, “ad3”, “ad4”, and the like can be selected from the pull-down menu 43b as the types of extraction criteria for “adduct ions”.
　図１４の例では、「フラグメント」についての抽出基準となる種類「ｆｒ２」および「ｆｒ３」が選択され、「アダクトイオン」についての抽出基準となる種類「ａｄ１」および「ａｄ３」が選択される。この状態で、決定操作が行われることにより、「フラグメント」が「ｆｒ２」または「ｆｒ３」である複数の強度分布データが抽出され、「アダクトイオン」が「ａｄ１」または「ａｄ３」である複数の強度分布データが抽出される。これにより、図１５に示すように、抽出された強度分布データがそれぞれ複数の強度分布画像としてグループごとに区分されて表示画面４１に並ぶように表示される。 In the example of FIG. 14, types “fr2” and “fr3” that are extraction criteria for “fragment” are selected, and types “ad1” and “ad3” that are extraction criteria for “adduct ions” are selected. In this state, by performing the determination operation, a plurality of intensity distribution data whose “fragment” is “fr2” or “fr3” is extracted, and a plurality of “adduct ions” are “ad1” or “ad3”. Intensity distribution data is extracted. As a result, as shown in FIG. 15, the extracted intensity distribution data is displayed as being divided into groups as a plurality of intensity distribution images and arranged on the display screen 41.
　図１５の例では、グループＧ１００，Ｇ２００，Ｇ３００に属する強度分布画像のみが表示領域に表示される。グループＧ１００においては、「アダクトイオン」の「ａｄ１」に対応するグループＧ１０２に属する強度分布画像のみが副表示領域に表示される。グループＧ２００においては、「フラグメント」の「ｆｒ２」に対応するグループＧ２０１に属する強度分布画像のみが副表示領域に表示される。グループＧ３００においては、「フラグメント」の「ｆｒ３」に対応するグループＧ３０１に属する強度分布画像、および「アダクトイオン」の「ａｄ３」に対応するグループＧ３０２に属する強度分布画像のみが副表示領域に表示される。 15, only the intensity distribution images belonging to the groups G100, G200, and G300 are displayed in the display area. In the group G100, only the intensity distribution image belonging to the group G102 corresponding to “ad1” of “adduct ion” is displayed in the sub display area. In the group G200, only the intensity distribution images belonging to the group G201 corresponding to “fr2” of “fragment” are displayed in the sub display area. In the group G300, only the intensity distribution image belonging to the group G301 corresponding to “fr3” of “fragment” and the intensity distribution image belonging to the group G302 corresponding to “ad3” of “adduct ion” are displayed in the sub display area. The
　（３）表示処理
　図１６は、表示処理プログラムにより行われる表示処理のアルゴリズムを示すフローチャートである。まず、取得部１１は、イメージング質量分析部２０から試料の複数の測定点についてのマススペクトルデータを取得する（ステップＳ１）。生成部１２は、ステップＳ１で取得された複数のマススペクトルデータに基づいて強度分布データを生成する（ステップＳ２）。記憶部１３は、ステップＳ２で生成された強度分布データを記憶する（ステップＳ３）。また、表示制御部１８は、図３のプルダウンメニュー４２ａ～４２ｃを表示部４０に表示させる。 (3) Display Processing FIG. 16 is a flowchart showing an algorithm of display processing performed by the display processing program. First, the acquisition unit 11 acquires mass spectrum data for a plurality of measurement points of the sample from the imaging mass spectrometry unit 20 (step S1). The generation unit 12 generates intensity distribution data based on the plurality of mass spectrum data acquired in step S1 (step S2). The storage unit 13 stores the intensity distribution data generated in step S2 (step S3). Further, the display control unit 18 causes the pull-down menus 42a to 42c of FIG.
　次に、分類基準受付部１４は、メインカテゴリの指定を受け付けたか否かを判定する（ステップＳ５）。使用者は、操作部３０を用いてプルダウンメニュー４２ａを操作し、決定操作を行うことによりメインカテゴリを指定することができる。メインカテゴリの指定を受け付けていない場合、分類基準受付部１４はメインカテゴリの指定を受け付けるまで待機する。 Next, the classification standard acceptance unit 14 determines whether or not designation of the main category has been accepted (step S5). The user can designate the main category by operating the pull-down menu 42a using the operation unit 30 and performing a determination operation. When the designation of the main category is not accepted, the classification reference acceptance unit 14 waits until the designation of the main category is accepted.
　メインカテゴリの指定が受け付けられた場合、分類基準受付部１４は、サブカテゴリおよび論理が指定されているか否かを判定する（ステップＳ６）。使用者は、ステップＳ５の決定操作の前にプルダウンメニュー４２ｂ，４２ｃを操作することによりサブカテゴリおよび論理をそれぞれ指定することができる。サブカテゴリおよび論理が指定されている場合、後述するサブカテゴリに基づく分類が実行され（ステップＳ７）、表示制御部１８は表示処理を終了する。 When the designation of the main category is accepted, the classification criterion accepting unit 14 determines whether or not the subcategory and logic are designated (Step S6). The user can designate the subcategory and logic by operating the pull-down menus 42b and 42c before the determination operation in step S5. When the subcategory and logic are designated, classification based on a subcategory described later is executed (step S7), and the display control unit 18 ends the display process.
　サブカテゴリおよび論理が指定されていない場合、分類部１５は、ステップＳ３で記憶された強度分布データをステップＳ５で受け付けられたメインカテゴリに基づくグループのいずれかに分類に分類する（ステップＳ８）。表示制御部１８は、ステップＳ８で分類された強度分布データ強度分布画像をグループごとに区分して表示部４０に表示させる（ステップＳ９）。また、表示制御部１８は、図５のプルダウンメニュー４３ａを表示部４０に表示させる（ステップＳ１０）。 If the subcategory and logic are not specified, the classification unit 15 classifies the intensity distribution data stored in step S3 into a group based on the main category received in step S5 (step S8). The display control unit 18 classifies the intensity distribution data intensity distribution images classified in step S8 into groups and displays them on the display unit 40 (step S9). Further, the display control unit 18 displays the pull-down menu 43a of FIG. 5 on the display unit 40 (step S10).
　次に、グループ受付部１６は、メインカテゴリについての抽出基準として値または種類の指定を受け付けたか否かを判定する（ステップＳ１１）。使用者は、操作部３０を用いてプルダウンメニュー４３ａを操作し、決定操作を行うことによりメインカテゴリについての抽出基準を指定することができる。メインカテゴリについての抽出基準の指定を受け付けていない場合、表示制御部１８は表示処理を終了する。 Next, the group receiving unit 16 determines whether a value or type designation has been received as an extraction criterion for the main category (step S11). The user can specify the extraction criteria for the main category by operating the pull-down menu 43a using the operation unit 30 and performing a determination operation. When the designation of the extraction criterion for the main category is not received, the display control unit 18 ends the display process.
　メインカテゴリについての抽出基準の指定が受け付けられた場合、抽出部１７は、ステップＳ８でグループに分類された各強度分布データのうち、受け付けられた抽出基準に該当するグループの強度分布データを抽出する（ステップＳ１２）。表示制御部１８は、ステップＳ１２で抽出された強度分布データに基づく強度分布画像をグループごとに区分して表示部４０に表示させ（ステップＳ１３）、表示処理を終了する。 When the designation of the extraction criterion for the main category is accepted, the extraction unit 17 extracts the intensity distribution data of the group corresponding to the accepted extraction criterion from the respective intensity distribution data classified into groups in step S8. (Step S12). The display control unit 18 classifies the intensity distribution image based on the intensity distribution data extracted in step S12 for each group and displays it on the display unit 40 (step S13), and ends the display process.
　図１７は、図１６のステップＳ７におけるサブカテゴリに基づく分類のアルゴリズムを示すフローチャートである。まず、分類基準受付部１４は、論理として論理積が指定されていたか否かを判定する（ステップＳ２１）。論理積が指定されていた場合、分類部１５は、ステップＳ８と同様に、ステップＳ３で記憶された強度分布データをステップＳ５で受け付けられたメインカテゴリに基づくグループのいずれかに分類する（ステップＳ２２）。また、分類部１５は、ステップＳ２２で分類された強度分布データをステップＳ６で指定されたサブカテゴリに基づくグループのいずれかにさらに分類する（ステップＳ２３）。 FIG. 17 is a flowchart showing a classification algorithm based on the subcategory in step S7 of FIG. First, the classification criterion receiving unit 14 determines whether or not a logical product has been designated as a logic (step S21). If the logical product has been designated, the classification unit 15 classifies the intensity distribution data stored in step S3 into one of the groups based on the main category received in step S5, similarly to step S8 (step S22). ). Further, the classification unit 15 further classifies the intensity distribution data classified in step S22 into any of the groups based on the subcategory designated in step S6 (step S23).
　ステップＳ２１で論理積が指定されていない場合、すなわち論理和が指定されていた場合、分類部１５は、ステップＳ８と同様に、ステップＳ３で記憶された強度分布データをステップＳ５で受け付けられたメインカテゴリに基づくグループのいずれかに分類に分類する（ステップＳ２４）。また、分類部１５は、ステップＳ３で記憶された強度分布データをステップＳ６で指定されたサブカテゴリに基づくグループのいずれかに分類する（ステップＳ２５）。さらに、分類部１５は、ステップＳ２５で分類されたサブカテゴリのグループを、ステップＳ２４で分類されたメインカテゴリのグループに追加する（ステップＳ２６）。この場合、サブカテゴリの各グループは、メインカテゴリのグループのうち同一化合物に対応するグループに追加される。 If the logical product is not specified in step S21, that is, if the logical sum is specified, the classification unit 15 receives the intensity distribution data stored in step S3 in step S5 as in step S8. It classify | categorizes into one of the groups based on a category (step S24). Further, the classifying unit 15 classifies the intensity distribution data stored in step S3 into any of the groups based on the subcategory designated in step S6 (step S25). Further, the classification unit 15 adds the sub-category group classified in step S25 to the main category group classified in step S24 (step S26). In this case, each group of the subcategory is added to a group corresponding to the same compound among the groups of the main category.
　ステップＳ２３またはステップＳ２６の後、表示制御部１８は、ステップＳ２３またはステップＳ２６で分類された強度分布データの強度分布画像をグループごとに区分して表示部４０に表示させる（ステップＳ２７）。また、表示制御部１８は、図５のプルダウンメニュー４３ａ，４３ｂを表示部４０に表示させる（ステップＳ２８）。 After step S23 or step S26, the display control unit 18 classifies the intensity distribution image of the intensity distribution data classified in step S23 or step S26 into groups and displays them on the display unit 40 (step S27). Further, the display control unit 18 displays the pull-down menus 43a and 43b in FIG. 5 on the display unit 40 (step S28).
　次に、グループ受付部１６は、メインカテゴリまたはサブカテゴリについての抽出基準として値または種類の指定を受け付けたか否かを判定する（ステップＳ２９）。使用者は、操作部３０を用いてプルダウンメニュー４３ａ，４３ｂを操作し、決定操作を行うことによりメインカテゴリおよびサブカテゴリについての抽出基準をそれぞれ指定することができる。メインカテゴリおよびサブカテゴリについての抽出基準の指定を受け付けていない場合、表示制御部１８はサブカテゴリに基づく分類を終了する。 Next, the group receiving unit 16 determines whether a value or type designation has been received as an extraction criterion for the main category or subcategory (step S29). The user can designate the extraction criteria for the main category and the sub category by operating the pull-down menus 43a and 43b using the operation unit 30 and performing the determination operation. When the designation of extraction criteria for the main category and the sub category is not accepted, the display control unit 18 ends the classification based on the sub category.
　メインカテゴリまたはサブカテゴリについての抽出基準の指定が受け付けられた場合、抽出部１７は、ステップＳ２３またはステップＳ２６でグループに分類された各強度分布データのうち、受け付けられたメインカテゴリまたはサブカテゴリについての抽出基準に該当するグループの強度分布データを抽出する（ステップＳ３０）。表示制御部１８は、ステップＳ３０で抽出された強度分布データに基づく強度分布画像をグループごとに区分して表示部４０に表示させ（ステップＳ３１）、表示処理を終了する。 When designation of the extraction criteria for the main category or subcategory is accepted, the extraction unit 17 extracts the extraction criteria for the accepted main category or subcategory from the respective intensity distribution data classified into groups in step S23 or step S26. The intensity distribution data of the group corresponding to is extracted (step S30). The display control unit 18 divides the intensity distribution image based on the intensity distribution data extracted in step S30 into groups and displays them on the display unit 40 (step S31), and ends the display process.
　上記の表示処理において、一部の処理が他の時点で実行されてもよい。例えば、ステップＳ９，Ｓ１０の処理は、いずれが先に実行されてもよいし、同時に実行されてもよい。また、ステップＳ２４，Ｓ２５の処理は、いずれが先に実行されてもよいし、同時に実行されてもよい。さらに、ステップＳ２７，Ｓ２８の処理は、いずれが先に実行されてもよいし、同時に実行されてもよい。 In the display process described above, some processes may be executed at other times. For example, any of the processes in steps S9 and S10 may be executed first or at the same time. In addition, either of the processes of steps S24 and S25 may be executed first or may be executed simultaneously. Furthermore, either of the processes in steps S27 and S28 may be executed first or at the same time.
　（４）効果
　本実施の形態に係る表示処理装置１０においては、複数の分類基準のうちいずれかの分類基準の指定が分類基準受付部１４により受け付けられる。分類基準受付部１４により指定された分類基準に基づいて各強度分布データが分類部１５により複数のグループのいずれかに分類される。分類された複数の強度分布データが複数の強度分布画像としてグループごとに区分されて表示部４０に表示される。 (4) Effect In the display processing apparatus 10 according to the present embodiment, the classification standard receiving unit 14 receives designation of any one of the plurality of classification standards. Each intensity distribution data is classified into one of a plurality of groups by the classification unit 15 based on the classification standard designated by the classification standard receiving unit 14. The plurality of classified intensity distribution data are classified into groups as a plurality of intensity distribution images and displayed on the display unit 40.
　したがって、強度分布画像の数が膨大であっても、複数の強度分布画像は所望の分類基準に基づいて分類されたグループごとに整理された状態で区分されて表示部４０に表示される。これにより、使用者は、表示された複数の強度分布画像から所望の強度分布画像を効率よく見出すことができる。 Therefore, even if the number of intensity distribution images is enormous, a plurality of intensity distribution images are displayed in the display unit 40 in a state where they are arranged for each group classified based on a desired classification standard. Thus, the user can efficiently find a desired intensity distribution image from the displayed plurality of intensity distribution images.
　また、グループ受付部１６によりグループの選択が受け付けられた場合には、選択されたグループに属する複数の強度分布データが抽出部１７により抽出される。抽出された複数の強度分布データは、複数の強度分布画像としてグループごとに区分されて表示部４０に表示される。この場合、所望のグループに属する強度分布画像のみを表示部４０に表示させ、他の不要なグループに属する強度分布画像を非表示にすることができる。これにより、使用者は、表示された複数の強度分布画像から所望の強度分布画像をより効率よく見出すことができる。 In addition, when a group selection is received by the group reception unit 16, a plurality of intensity distribution data belonging to the selected group are extracted by the extraction unit 17. The extracted plurality of intensity distribution data is displayed as a plurality of intensity distribution images for each group and displayed on the display unit 40. In this case, only the intensity distribution images belonging to the desired group can be displayed on the display unit 40, and the intensity distribution images belonging to other unnecessary groups can be hidden. As a result, the user can more efficiently find a desired intensity distribution image from the displayed plurality of intensity distribution images.

Claims (8)

  1. 表示部を用いた表示処理を行う表示処理装置であって、
    　試料の複数の測定点についての複数のマススペクトルデータを取得する取得部と、
    　前記複数のマススペクトルデータにおいて任意の質量電荷比に対応する信号強度値の二次元分布を示す強度分布データを生成する生成部と、
    　複数の質量電荷比に対応して前記生成部により生成された複数の強度分布データを記憶する記憶部と、
    　各強度分布データを複数のグループのいずれかに分類するための複数の分類基準のうちいずれかの分類基準の指定を受け付ける分類基準受付部と、
    　前記分類基準受付部により指定された分類基準に基づいて前記記憶部に記憶された各強度分布データを複数のグループのいずれかに分類する分類部と、
    　前記分類部により分類された複数の強度分布データを複数の強度分布画像としてグループごとに区分して前記表示部に表示させる表示制御部とを備える、表示処理装置。     A display processing device that performs display processing using a display unit,
    An acquisition unit for acquiring a plurality of mass spectrum data for a plurality of measurement points of the sample;
    A generator for generating intensity distribution data indicating a two-dimensional distribution of signal intensity values corresponding to an arbitrary mass-to-charge ratio in the plurality of mass spectrum data;
    A storage unit for storing a plurality of intensity distribution data generated by the generation unit corresponding to a plurality of mass-to-charge ratios;
    A classification criterion receiving unit that receives designation of any one of a plurality of classification criteria for classifying each intensity distribution data into one of a plurality of groups;
    A classification unit that classifies each intensity distribution data stored in the storage unit into one of a plurality of groups based on the classification standard designated by the classification standard reception unit;
    A display processing apparatus comprising: a display control unit configured to classify the plurality of intensity distribution data classified by the classification unit into a plurality of intensity distribution images for each group and display the group on the display unit.
  2. 前記分類基準受付部は、複数の分類基準の指定を受け付け可能に構成され、
    　前記分類部は、前記分類基準受付部により指定された複数の分類基準の論理演算に基づいて複数のグループを生成し、前記記憶部に記憶された各強度分布データを生成された複数のグループのいずれかに分類する、請求項１記載の表示処理装置。     The classification standard receiving unit is configured to be capable of receiving designation of a plurality of classification standards,
    The classification unit generates a plurality of groups based on a logical operation of a plurality of classification criteria specified by the classification criterion receiving unit, and each of the intensity distribution data stored in the storage unit is generated The display processing device according to claim 1, wherein the display processing device is classified into any one of them.
  3. 前記分類部は、前記分類基準受付部により指定された複数の分類基準の論理積に基づいて複数のグループを生成し、前記記憶部に記憶された各強度分布データを生成された複数のグループのいずれかに分類する、請求項２記載の表示処理装置。 The classification unit generates a plurality of groups based on a logical product of a plurality of classification criteria specified by the classification criterion receiving unit, and generates each intensity distribution data stored in the storage unit of the generated plurality of groups. The display processing device according to claim 2, wherein the display processing device is classified into any one of them.
  4. 前記分類部は、前記分類基準受付部により指定された複数の分類基準の論理和に基づいて複数のグループを生成し、前記記憶部に記憶された各強度分布データを生成された複数のグループのいずれかに分類する、請求項２または３記載の表示処理装置。 The classification unit generates a plurality of groups based on a logical sum of a plurality of classification criteria specified by the classification criterion receiving unit, and each intensity distribution data stored in the storage unit of the generated plurality of groups The display processing device according to claim 2, wherein the display processing device is classified into any one of the above.
  5. 前記分類基準受付部により指定された分類基準による複数のグループのうち一または複数のグループの選択を受け付けるグループ受付部と、
    　前記記憶部に記憶された各強度分布データのうち、前記グループ受付部により選択された一または複数のグループに属する複数の強度分布データを抽出する抽出部とをさらに備え、
    　前記表示制御部は、前記抽出部により抽出された複数の強度分布データを複数の強度分布画像としてグループごとに区分して前記表示部に表示させる、請求項１～３のいずれか一項に記載の表示処理装置。     A group receiving unit for receiving selection of one or more groups among a plurality of groups based on the classification criteria specified by the classification criterion receiving unit;
    An extraction unit for extracting a plurality of intensity distribution data belonging to one or a plurality of groups selected by the group reception unit among the intensity distribution data stored in the storage unit;
    The display control unit according to any one of claims 1 to 3, wherein the display control unit divides the plurality of intensity distribution data extracted by the extraction unit into a plurality of intensity distribution images for each group and displays them on the display unit. Display processing device.
  6. 前記複数の分類基準は、測定された試料を特定するための識別情報、試料中の物質を特定する質量電荷比の値、測定に用いられたマトリックスの種類、試料中の物質に起因して現れるピークの種類、およびニュートラルロスのうち２以上の分類基準を含む、請求項１～３のいずれか一項に記載の表示処理装置。 The plurality of classification criteria appear due to identification information for specifying the measured sample, a value of mass-to-charge ratio specifying the substance in the sample, the type of matrix used for the measurement, and the substance in the sample The display processing device according to any one of claims 1 to 3, comprising two or more classification criteria of peak type and neutral loss.
  7. 試料の複数の測定点についての複数のマススペクトルデータをそれぞれ生成するイメージング質量分析部と、
    　表示部と、
    　前記表示部を用いた表示処理を行う請求項１～３のいずれか一項に記載の表示処理装置とを備える、イメージング質量分析システム。     An imaging mass spectrometer that respectively generates a plurality of mass spectrum data for a plurality of measurement points of the sample;
    A display unit;
    An imaging mass spectrometry system comprising: the display processing device according to any one of claims 1 to 3 that performs display processing using the display unit.
  8. 表示部を用いた表示処理を行う表示処理方法であって、
    　試料の複数の測定点についての複数のマススペクトルデータをそれぞれ取得するステップと、
    　前記複数のマススペクトルデータにおいて一定の質量電荷比に対応する信号強度値の二次元分布を示す強度分布データを生成するステップと、
    　複数の質量電荷比に対応して生成された複数の強度分布データを記憶するステップと、
    　各強度分布データを複数のグループのいずれかに分類するための複数の分類基準のうちいずれかの分類基準の指定を受け付けるステップと、
    　前記指定された分類基準に基づいて前記記憶された各強度分布データを複数のグループのいずれかに分類するステップと、
    　前記分類された複数の強度分布データを複数の強度分布画像としてグループごとに区分して前記表示部に表示させるステップとを含む、表示処理方法。     A display processing method for performing display processing using a display unit,
    Acquiring a plurality of mass spectrum data for a plurality of measurement points of the sample, and
    Generating intensity distribution data indicating a two-dimensional distribution of signal intensity values corresponding to a constant mass to charge ratio in the plurality of mass spectrum data;
    Storing a plurality of intensity distribution data generated corresponding to a plurality of mass to charge ratios;
    Receiving designation of any one of a plurality of classification criteria for classifying each intensity distribution data into one of a plurality of groups;
    Classifying each stored intensity distribution data into one of a plurality of groups based on the designated classification criteria;
    A step of classifying the plurality of classified intensity distribution data into a plurality of intensity distribution images for each group and displaying them on the display unit.
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