WO2022209072A1 - Système d'analyse, procédé d'affichage pour un système d'analyse et programme pour un système d'analyse - Google Patents

Système d'analyse, procédé d'affichage pour un système d'analyse et programme pour un système d'analyse Download PDF

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Publication number
WO2022209072A1
WO2022209072A1 PCT/JP2021/047818 JP2021047818W WO2022209072A1 WO 2022209072 A1 WO2022209072 A1 WO 2022209072A1 JP 2021047818 W JP2021047818 W JP 2021047818W WO 2022209072 A1 WO2022209072 A1 WO 2022209072A1
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Prior art keywords
analysis
chromatogram
raman
liquid
chromatograph
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PCT/JP2021/047818
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English (en)
Japanese (ja)
Inventor
悠佑 長井
貫也 辻井
慧 若林
哲三郎 三浦
裕之 北村
Kayo MORINAGA (森長 佳世)
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株式会社島津製作所
株式会社堀場製作所
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Priority to JP2023510258A priority Critical patent/JPWO2022209072A1/ja
Publication of WO2022209072A1 publication Critical patent/WO2022209072A1/fr

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    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N21/00—Investigating or analysing materials by the use of optical means, i.e. using sub-millimetre waves, infrared, visible or ultraviolet light
    • G01N21/62—Systems in which the material investigated is excited whereby it emits light or causes a change in wavelength of the incident light
    • G01N21/63—Systems in which the material investigated is excited whereby it emits light or causes a change in wavelength of the incident light optically excited
    • G01N21/65—Raman scattering
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/62—Detectors specially adapted therefor
    • G01N30/74—Optical detectors
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/80—Fraction collectors
    • G—PHYSICS
    • G01—MEASURING; TESTING
    • G01N—INVESTIGATING OR ANALYSING MATERIALS BY DETERMINING THEIR CHEMICAL OR PHYSICAL PROPERTIES
    • G01N30/00—Investigating or analysing materials by separation into components using adsorption, absorption or similar phenomena or using ion-exchange, e.g. chromatography or field flow fractionation
    • G01N30/02—Column chromatography
    • G01N30/86—Signal analysis

Definitions

  • the present invention relates to an analysis system that combines chromatography and Raman spectroscopy.
  • a type of hyphenated technology that combines multiple analytical methods is one that combines chromatography and Raman spectroscopic analysis.
  • Patent Document 1 in order to perform such an analysis, a chromatograph that separates and analyzes a liquid sample for each component, a fraction collector that fractionates the liquid sample that has passed through a detector of the chromatograph, and a fraction collector. and a Raman spectroscopic analyzer that analyzes the collected sample components based on Raman spectroscopy.
  • the analysis system includes a chromatograph that separates and analyzes a liquid sample for each component, a fraction collector that collects the sample components of the liquid sample that have passed through the component detector of the chromatograph, and the A Raman spectroscopic analyzer that analyzes the fractionated liquid fractionated by the fraction collector based on Raman spectroscopy, a chromatogram of the liquid sample that is the analysis result of the chromatograph, and an analysis result of the Raman spectroscopic analyzer. and an analysis summary display unit that displays an analysis summary screen including data elements in which the Raman spectrum of the fractionated liquid and the analysis identifiers associated with the chromatogram and the Raman spectrum are arranged in a predetermined direction; characterized by comprising
  • a display method for an analysis system includes a chromatograph that separates and analyzes a liquid sample for each component, and a fraction collector that collects sample components of the liquid sample that have passed through a component detector of the chromatograph. and a Raman spectroscopic analyzer that analyzes the fractionated liquid fractionated by the fraction collector based on Raman spectroscopy.
  • a chromatogram of the liquid sample, a Raman spectrum of the preparative liquid that is the analysis result of the Raman spectroscopic analyzer, and an analysis identifier linked to the chromatogram and the Raman spectrum are arranged in a predetermined direction. It is characterized by displaying.
  • the order of the chromatogram, the Raman spectrum, and the analytical identifier in the data element with respect to the predetermined direction is not limited to the order described here, and may be various orders.
  • the analysis summary display unit displays the analysis summary screen by arranging the analysis identifier, the chromatogram, and the Raman spectrum in the predetermined direction in the predetermined direction, so that each device can individually It is possible to easily compare the corresponding chromatogram and Raman spectrum for a given sample component, even if it is run with proprietary software. As a result, the user can consider what components are included in the peaks in the chromatogram from the Raman spectrum, and conversely, if there are no peaks in the chromatogram, the user can consider unknown components and structures from the Raman spectrum. It becomes easier to do.
  • the analysis summary display unit In the data element, it is sufficient that the fraction period during which the sampled liquid is fractionated is displayed on the chromatogram in association with it.
  • the fraction collector In order for the user not only to compare the chromatogram and the Raman spectrum, but also to visually confirm the state of the fractionated liquid, for example, to make it easier to consider the validity of the analysis results, etc., the fraction collector, It is configured to drop a plurality of the liquids separated from the liquid sample into different wells on a plate in which a plurality of wells are formed, and the data element indicates that the liquid drops are dropped
  • the analysis identifier, the chromatogram, the Raman spectrum, and the position of the well may be aligned in the predetermined direction, further including the position of the well on the plate.
  • the plate is provided with an identification code indicating an individual plate name, and the data element is It may further include the plate name of the dropped plate, and the analytical identifier, the chromatogram, the Raman spectrum, and the plate name arranged in the predetermined direction.
  • the liquid sample is the same.
  • the analysis summary display unit arranges the data elements in a direction orthogonal to the predetermined direction in chronological order of collection of the liquid to be analyzed. It may be anything as long as it constitutes the overview screen.
  • an input reception unit that receives a selection input for selecting the chromatogram or the Raman spectrum displayed on the analysis summary screen, and the selected and a reanalysis setting unit that displays a reanalysis screen corresponding to the chromatogram or the Raman spectrum.
  • the analysis summary display section displays an analysis summary screen in which the selected chromatogram is changed to a reanalyzed chromatogram.
  • the analysis summary display unit In order for the user to easily compare the reanalysis results of the Raman spectrum and the corresponding chromatogram while maintaining the validity of the data, when the Raman spectrum is reanalyzed, the analysis summary display unit , a newly assigned analysis identifier, a re-analyzed Raman spectrum, and a corresponding chromatogram before re-analysis. I wish I had.
  • a chromatograph that separates and analyzes each component of a liquid sample, and the chromatograph
  • a fraction collector that fractionates the sample components of the liquid sample that has passed through the component detector of the graph
  • a Raman spectroscopic analyzer that analyzes the fractionated liquid fractionated by the fraction collector based on Raman spectroscopy.
  • a program used in an analysis system comprising: a sample identifier indicating the liquid sample; a chromatogram of the liquid sample that is the analysis result of the chromatograph; and the preparative separation that is the analysis result of the Raman spectrometer Using an analysis system program that causes a computer to exhibit a function as an analysis summary display unit that displays an analysis summary screen containing data elements arranged in a predetermined direction with the Raman spectrum of the sample component in the liquid good.
  • the analysis system program may be electronically distributed, or may be recorded on a program recording medium such as a CD, DVD, or flash memory.
  • the analysis identifier, the chromatogram, and the Raman spectrum are displayed side by side in the predetermined direction, so that each device operates with individual dedicated software. Even so, it is possible to easily compare the chromatogram and Raman spectrum corresponding to a certain sample component, and the usability of the analysis system can be improved more than before.
  • FIG. 1 is a schematic diagram showing the configuration of an analysis system in one embodiment of the present invention
  • FIG. The functional block diagram which shows the structure of the integrated management apparatus in the same embodiment, an LC control calculator, a fraction control calculator, and a Raman control calculator.
  • a portal screen that is one of the operation screens displayed by the operation screen display unit according to the embodiment.
  • the plate selection screen which is one of the operation screens which the operation screen display part in the same embodiment displays.
  • 4 is a drip range setting screen, which is one of the operation screens displayed by the operation screen display unit according to the embodiment;
  • the analysis summary screen displayed by the analysis summary display unit in the same embodiment.
  • the chromatograph reanalysis screen displayed by the operation of the reanalysis setting unit in the same embodiment.
  • the Raman spectrum reanalysis screen displayed by the operation of the reanalysis setting unit in the same embodiment.
  • the analysis system 100 of this embodiment performs LC-Raman analysis using both liquid chromatography and Raman spectroscopy, and is a type of so-called hyphenated technology.
  • the analysis system 100 integrates and manages the chromatograph 10, the fraction collector 20, and the Raman spectrometer 30, their operation settings, data analysis, display of analysis results, and the like. and an integrated management device 40 .
  • the chromatograph 10, the fraction collector 20, and the Raman spectroscopic analyzer 30 are provided with control calculators 1C, 2C, and 3C, which are dedicated software for operating the respective hardware and analyzing data.
  • the integrated management device 40 is configured to operate as overlay software, and the integrated management device 40 and the control calculators 1C, 2C, and 3C of each device cooperate to operate integrally as one analysis system 100. do.
  • the chromatograph 10 separates and detects each component of the liquid sample S by liquid chromatography.
  • the chromatograph 10 sucks up the mobile phase Z stored in the storage part 11 into the channel 13 by the pump 12, injects the liquid sample S into the channel 13, and By feeding the sample S to the separation column 14, the liquid sample S is separated into components.
  • a component detector 15 for detecting separated components of the liquid sample S is provided downstream of the separation column 14 .
  • the mobile phase Z is, for example, a mixed liquid in which a plurality of types of liquids are mixed, and here is a mixed liquid of water and an organic solvent such as ethanol.
  • the mobile phase Z may consist of a single liquid, or may be a gradient solvent having a concentration gradient.
  • the chromatograph 10 further includes an LC control calculator 1C that controls each device such as the pump P and generates a chromatogram of the liquid sample S based on the output of the component detector 15.
  • the LC control arithmetic unit 1C is composed of a dedicated or general-purpose computer, executes a chromatographic program stored in a memory, and realizes its functions through the cooperation of each device.
  • the LC control calculator 1C receives chromatograph setting information from the integrated management device 40, and controls the delivery speed of the mobile phase Z of the pump P based on the information. It includes at least a control section 1C1 and a chromatogram generation section 1C2 that generates data relating to the chromatogram of the liquid sample S based on the output signal of the component detector 15.
  • the chromatogram generator 1C2 outputs data on the generated chromatogram to the integrated management device 40.
  • the integrated management device 40 associates a sample identifier indicating the liquid sample S with this chromatogram.
  • the fraction collector 20 is provided on the downstream side of the component detector 15 of the chromatograph 10, as shown in FIG.
  • the fraction collector 20 is configured to drop a plurality of sample components fractionated from the liquid sample S into different wells W on a plate PL having a plurality of wells W formed in a matrix.
  • the liquid fractionated on the plate PL by the fraction collector 20 is referred to as a fractional liquid SS, and the fractional liquid SS is not limited to a mobile phase Z containing components derived from the liquid sample S. , the concept includes those consisting only of the mobile phase Z.
  • the plate PL has an identification code that indicates the individual plate name.
  • the identification code is, for example, a two-dimensional bar code such as DataMatrix (registered trademark), and is printed or stamped on the surface of the plate PL on which the wells W are formed.
  • the identification code is not limited to this, and may be a QR code (registered trademark) or a one-dimensional bar code.
  • the configuration of the fraction collector 20 will be described in detail. It is configured to drop SS in predetermined amounts one after another.
  • the sample component in the liquid sample S is included, but the fractionated liquid corresponding to the portion other than the peak
  • the SS may also contain sample components of a type that cannot be detected by the component detector 15 .
  • a first code reader 23 is attached to the mobile probe 21 for reading the identification code given to the plate PL.
  • the identification code of the plate PL is read by the first code reader 23, and the plate name of the plate PL is acquired.
  • the fraction collector 20 also includes a stacker 24 that stores a plurality of plates PL.
  • This stacker 24 is for waiting the plate PL before the separation liquid SS is dropped into the well W and the plate PL until the separation liquid SS is dropped into the well W and dried (dried). is.
  • a maximum of three plates can be placed on each of the three racks A, B, and C of the stacker 24 . Movement of the plate PL between the stacker 24 and the stage 22 is performed by a transport mechanism (not shown). As will be described later, the plate PL on which the separation liquid SS has already been dropped into the wells W in the stacker 24 has been dried and is ready to be transported, or has been dried and is transportable. The drying time until it becomes possible is displayed on the display by the integrated management device 40 .
  • the fraction collector 20 further includes a fraction control computing unit 2C that generates fraction information, which is information about the control of the mobile probe 21 and the like, and the dropping state of the preparative liquid SS into each well W of each plate PL. ing.
  • the fraction control computing unit 2C is composed of a dedicated or general-purpose computer, executes a program dedicated to the fraction collector stored in memory, and realizes its function through the cooperation of each device.
  • the fraction control computing unit 2C determines the position of the mobile probe 21 and the fractionation conditions (fractionation flow rate, fraction It has at least a fraction control section 2C1 for controlling the time taken, etc.).
  • the fraction control computing unit 2C also provides a predicted fraction result, which is the usage range of the wells W in the plate PL when the preparative liquid SS is dropped based on the fraction setting information input from the integrated management device 40, and the actual A fraction information generation unit 2C2 is further provided for generating fraction information such as a fraction result when the preparative liquid SS is dropped onto the plate PL.
  • Data related to the fraction information generated by the fraction information generation unit 2C2 is transmitted to the integrated management device 40, and the integrated management device 40 associates the fraction information with the sample identifier corresponding to the liquid sample S being dispensed.
  • a unique sequence ID which is an analysis identifier, is given to the plate name of the plate PL and each position of the well W included in the fraction information.
  • each analysis identifier is associated with the plate name, the position of the well W, the sample identifier indicating the liquid sample S, and the chromatogram of the liquid sample S.
  • the integrated management device 40 generates and stores a correspondence relationship between the position of the well W on the plate PL onto which the preparative liquid SS is dropped and the area on the chromatogram.
  • the Raman spectroscopic analyzer 30 dries the mobile phase Z dropped into the wells W on the plate PL to dry the fractionated liquid SS. Analysis is based on spectroscopy.
  • the plate PL the user carries it to the Raman spectroscopic analyzer 30 after it has been dried in the fraction collector 20. A plate PL may be transported.
  • the Raman spectroscopic analysis apparatus 30 includes a light irradiator 31 that irradiates excitation light such as laser light to the wells W on the plate PL holding the preparative liquid SS, and a light irradiator 31 that irradiates the excitation light.
  • the Raman spectroscopic analyzer 30 controls the position on the plate PL where the laser light emitted by the light irradiator 31 is irradiated, and Raman control for generating a Raman spectrum based on the output of the Raman scattered light detector 33.
  • a calculator 3C is further provided.
  • the Raman control computing unit 3C is composed of a dedicated or general-purpose computer, executes a program dedicated to the Raman spectroscopic analyzer stored in memory, and realizes its functions through the cooperation of each device.
  • the Raman control calculator 3C receives Raman spectroscopic analysis setting information from the integrated management device 40, controls each device based on the information, and holds on the plate PL
  • a Raman spectrum generator 3C2 a Raman spectrum generator 3C2.
  • the Raman control unit 3C1 sequentially irradiates a plurality of wells W to be analyzed with laser light based on the Raman spectroscopic analysis setting information.
  • the Raman spectrum generation unit 3C2 generates the Raman spectrum obtained from the sample component of each well W, the plate name of the plate PL read by the second code reader 35, the position information of the well W irradiated with the laser light, and the camera 34 and the microscopic image data of the well W imaged in 34 are combined and transmitted to the integrated management device 40 .
  • the integrated management device 40 further associates the Raman spectrum with the analysis identifier corresponding to the well W of the plate PL in which the Raman spectrum was measured.
  • the integrated management device 40 is composed of a dedicated or general-purpose computer, executes a program for the integrated management device stored in the memory, and realizes its functions through the cooperation of each device. Further, the integrated management device 40 is connected to the LC control calculator 1C, the fraction control calculator 2C, and the Raman control calculator 3C via a wired or wireless network, and the integrated management device 40 is connected to each of the control calculators 1C, 2C, and 3C.
  • the chromatograph setting information, the fraction setting information, and the Raman spectroscopic analysis setting information for setting the parameters related to the analysis are transmitted to the .
  • the integrated management device 40 also receives information on analysis results obtained from each of the control calculators 1C, 2C, and 3C, operation results performed on the plate PL, and the like.
  • the integrated management device 40 includes an input reception unit 41 that receives input from the user, and an operation screen display unit 42 that displays an operation screen for each of the devices 10, 20, and 30 on the display DP.
  • a setting information generation unit 43 that generates chromatograph setting information, fraction setting information, and Raman spectroscopic analysis setting information related to analysis based on the input from the user on the operation screen, and transmits to each device 10, 20, 30; Chromatograph setting information generated by the setting information generation unit 43, fraction setting information, Raman spectroscopic analysis setting information, information on the analysis results and operation results received from each device 10, 20, 30, information on the plate PL being used
  • a database 44 that stores information, etc.
  • an analysis summary display unit 45 that displays an analysis summary screen integrated based on the information recorded in the database 44 on the display DP
  • a reanalysis setting unit 46 that displays a corresponding reanalysis screen on the display DP.
  • the input reception unit 41 receives input from the user on the operation screen, the analysis overview screen, etc., using input devices such as a keyboard and mouse.
  • the operation screen display unit 42 displays on the display DP an operation screen for setting analysis or displaying analysis results as shown in FIGS.
  • the operation screen shown in FIG. 3 is a portal screen SC1 for selecting settings related to analysis of any one of the chromatograph 10, the fraction collector 20, and the Raman spectroscopic analyzer 30, or displaying the analysis results stored in the database 44.
  • a portal screen SC1 for selecting settings related to analysis of any one of the chromatograph 10, the fraction collector 20, and the Raman spectroscopic analyzer 30, or displaying the analysis results stored in the database 44.
  • an LC area R1 serving as an entrance for setting the chromatograph 10, etc.
  • a fraction area R2 serving as an entrance for setting the fraction collector 20, etc.
  • a Raman spectrometer are displayed in the left column of the portal screen SC1
  • a data viewer area R4 serving as an entrance to an analysis summary screen for displaying integrated analysis results.
  • 4 and 5 are examples of operation screens of the fraction collector 20 that are displayed as windows when, for example, the fraction region R2 is selected by the user.
  • FIG. 4 is a plate selection screen SC2 for setting which plate PL set in the stacker 24 is used to collect the liquid sample S.
  • FIG. 4 the identification code of the selected plate PL is read by the first code reader 23 of the fraction collector 20 by selecting the read button. Then, the liquid sample S being analyzed by the chromatograph 10 and the plate name of the plate PL used for fractionation are linked and stored in the database 44 .
  • FIG. 5 is a dropping range setting screen SC3 for setting the dropping range of the preparative liquid SS on the plate PL based on the setting chromatogram. While referring to the setting chromatogram, the user can set the bar displayed on the setting chromatogram as to what fraction period the fractionation liquid SS derived from the component detector 15 of the chromatograph 10 should be fractionated. Select by moving. Alternatively, the user can set the fraction period by entering numerical values for the start time and end time. Also, the user sets the dripping time from the mobile probe 21 to each well W as the dripping amount. After these settings are made, the setting information generator 43 transmits the setting information to the fraction information generator 2C2 of the fraction control computing unit 2C.
  • the integrated management device 40 receives the result of predicting the range from the position of the well W where dropping is to start calculated by the fraction information generating unit 2C2, and the operation screen display unit 42 displays the dropping range setting screen SC3. on the image of the plate PL at .
  • the setting information generation unit 43 When the user finally approves the settings regarding dripping, the setting information generation unit 43 generates fraction setting information such as fractionation parameters to be transmitted to the fraction collector 20 . Then, the generated setting information is transmitted from the integrated management device 40 to the fraction control computing unit 2C, and each device of the fraction collector 20 is controlled by the fraction control unit 2C1 so that sample components can be fractionated onto the actual plate PL. done.
  • the operation screen displayed by the operation screen display unit 42 is not limited to that of the fraction collector 20.
  • the operation screen of the Raman spectroscopic analyzer 30 is displayed.
  • the setting information generation unit 43 generates chromatograph setting information or Raman spectroscopic analysis setting information used for the chromatograph 10 or the Raman spectroscopic analysis device 30 based on the input from the user to each operation screen, and the corresponding devices 10 and 30 sent. Moreover, necessary data processing is performed in each device 10, 30, the result is transmitted to the integrated management device 40, and the result is displayed on each operation screen. In this way, it is possible to perform the necessary settings for starting the analysis only by inputting to the integrated management device 40, and to perform a series of analyzes without operating the dedicated software of each device 10, 20, 30. can.
  • the analysis summary display unit 45 refers to the analysis results and operation results received from the devices 10, 20, and 30 recorded in the database 44, and the results are shown in FIG.
  • An analysis summary screen SC4 is generated and displayed as a window.
  • the analysis overview screen SC4 displays the chromatogram of the sample, which is the analysis result of the chromatograph 10, the Raman spectrum of the preparative liquid SS (sample component), which is the analysis result of the Raman spectrometer 30, and the chromatogram and the Raman spectrum.
  • a plurality of data elements DE to which sequence IDs, which are analysis identifiers attached, are arranged in the horizontal direction are arranged in the vertical direction.
  • the data element DE further includes the plate name of the plate PL from which the sample component was dispensed and the position of the well W into which the sample component subjected to Raman spectroscopic analysis was dropped.
  • the analysis results of the sample components dispensed on one well W are displayed as one row of data elements DE.
  • the data element DE contains information on the following items from left to right.
  • a sequence ID for managing a series of analyses a plate ID that is a plate name, a well number that indicates the position of the well W in which Raman spectroscopic analysis was performed, a sample ID that is a sample identifier, and a sample ID for the analysis of the chromatograph 10 , the first operator ID indicating the operator who performed the analysis operation by the chromatograph 10, the execution date of the analysis by the chromatograph, the chromatogram obtained with the liquid sample S indicated by the sample ID, the Raman spectrometer Sample name set for analysis in 30, second operator ID indicating the operator who performed the analysis operation by the Raman spectroscopic analyzer 30, execution date of Raman spectroscopic analysis, well number in plate PL indicated by plate ID
  • the Raman spectra obtained by the Raman spectroscopic analysis at the well positions indicated by are arranged in a row in the horizontal direction to form data elements DE.
  • the analysis summary display unit 45 displays the fraction period of the sample component fractionated in the well W in which the Raman spectroscopic analysis was performed superimposed on the chromatogram on the analysis summary screen SC4.
  • a hatched band overlaps the time region corresponding to the fraction period during which the sample liquid SS was collected on the chromatogram.
  • the results of Raman spectroscopic analysis performed on different well positions for the same liquid sample S in a plurality of data elements DE are displayed adjacently as shown in each data element DE on the 1st to 3rd lines. . More specifically, the data elements DE are arranged adjacent to each other in chronological order in which the sampled liquid SS is collected from the top to the bottom.
  • the analysis summary screen SC4 displayed by the analysis summary display unit 45 has a plate information region R5 in which information about the plate PL extending in the vertical direction is displayed in the left column, and a plate information region R5 extending in the vertical direction in the center column.
  • An LC information area R6 is formed in which information on the chromatogram and fractionation is displayed, and a Raman information area R7 in which information on the Raman spectrum extending in the vertical direction is displayed is formed in the right column.
  • the chromatogram and the Raman spectrum are displayed side by side, making it possible to easily compare the chromatogram and the Raman spectrum.
  • the user can easily consider from the Raman spectrum what components are included in the peaks in the chromatogram.
  • the areas where the fractionated liquid SS is fractionated are displayed on the chromatogram, the user can easily comprehend the correspondence between them.
  • the operator who performed the analysis operation by the chromatograph 10 and the analysis device by the Raman spectrometer 30 can be separately registered, it is possible to check whether the analysis was performed by an operator who is familiar with the operation of each device 10, 30.
  • the reanalysis setting unit 46 displays the selected chromatogram or Raman spectrum as shown in FIG. Display the reanalysis screen. More specifically, when one of the chromatograms is selected on the analysis overview screen SC4, the reanalysis setting unit 46 accesses the LC control calculator 1C and loads the chromatogram generation unit 1C2 with a program for reanalysis. let it run. Then, the reanalysis setting unit 46 causes the display DP of the integrated management device 40 to display the chromatogram reanalysis screen SC5 of FIG. In other words, the dedicated software for when the chromatograph 10 is used alone is automatically activated and can be used in the integrated management device 40 . Also, the chromatogram generator 1C2 accesses the database 44 to acquire the chromatogram selected by the user and setting information related thereto. The read information is automatically reflected on the chromatogram reanalysis screen SC5.
  • channels and frequencies to be used as data can be set on the chromatogram reanalysis screen SC5 in FIG. 7, and the chromatogram generator 1C2 outputs the chromatogram reanalysis results according to the setting changes.
  • the reanalyzed chromatogram is sent to the database 44, and the analysis summary display unit 45 changes the chromatogram before reanalysis to the chromatogram after reanalysis to update the analysis summary screen SC4. That is, even if the chromatogram is reanalyzed, the chromatogram linked to the analysis identifier is only updated to the chromatogram after reanalysis. The number of rows displayed does not change.
  • the reanalysis setting unit 46 accesses the Raman control computing unit 3C and causes the Raman spectrum generation unit 3C2 to execute a program for reanalysis. . Then, the reanalysis setting unit 46 causes the display DP of the integrated management device 40 to display the Raman spectrum reanalysis screen SC6 of FIG.
  • dedicated software for when the Raman spectroscopic analysis device 30 is used alone is automatically activated and can be used in the integrated management device 40 .
  • the Raman spectrum generation unit 3C2 also accesses the database 44 to acquire the Raman spectrum selected by the user and the Raman spectroscopic analysis setting information related thereto. The read information is automatically reflected on the Raman spectrum reanalysis screen SC6.
  • the Raman spectrum generator 3C2 When parameters related to analysis are changed on the Raman spectrum reanalysis screen SC6 of FIG. 8, the Raman spectrum generator 3C2 outputs the results of reanalysis of the Raman spectrum according to the setting change.
  • the reanalyzed Raman spectrum is transmitted to the database 44, and a new analysis identifier is associated with the chromatogram paired with the Raman spectrum before reanalysis and the reanalyzed Raman spectrum.
  • the analysis overview display unit 45 displays the chromatogram paired with the Raman spectrum before reanalysis, the reanalyzed Raman spectrum, and new data elements DE in which the new analysis identifiers are arranged in a horizontal row. Add to the analysis summary screen SC4.
  • the reanalysis setting unit 46 is configured in this way, when reanalysis is required as in the conventional case, the dedicated software is separately executed by directly accessing the chromatograph 10 or the Raman spectroscopic analysis device 30, and furthermore You don't have to select the data you want to reanalyze. That is, only by selecting the target chromatogram or Raman spectrum from the analysis summary screen SC4 by operating the integrated management device 40, selection of data necessary for reanalysis and activation of software are automatically completed. Therefore, it is easy for the user to re-analyze and examine in detail the data of interest from the comparison of the chromatograph and the Raman spectrum on the analysis summary screen SC4. Further, when the reanalysis is finished, the analysis summary display unit 45 automatically updates the configuration of the analysis summary screen SC4, so that the validity of the reanalysis can be easily determined by comparing it with other data elements DE, for example.
  • the configuration of the analysis summary screen SC4 is not limited to the configuration shown in FIG.
  • a chromatogram and a Raman spectrum that are paired may be arranged vertically in a row to form a data element, and each data element may be arranged horizontally.
  • the data element should include at least the identifier of the liquid sample, the chromatogram obtained by analyzing the liquid sample, and the Raman spectrum.
  • Data elements may include items other than those described in the embodiments.
  • the functions of the parts that make up the integrated management device are not limited to those whose functions are realized by ordinary computers.
  • a portable terminal such as a tablet terminal or a smartphone
  • the function of each part explained in the embodiment is realized.
  • the function of each part is realized in the server without performing actual calculations on the mobile terminal, and the analysis overview screen generated by the analysis overview display part and the operation screen generated by the operation screen display part are displayed on the mobile terminal. may be displayed above.

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  • Investigating, Analyzing Materials By Fluorescence Or Luminescence (AREA)

Abstract

Afin de fournir un système d'analyse qui est convivial et qui permet une comparaison aisée d'un chromatogramme correspondant et d'un spectre Raman même lorsque de multiples dispositifs effectuent un contrôle ou une analyse avec un logiciel individuel, la présente invention comprend : un chromatographe (10) qui sépare un échantillon liquide (S) en composants et qui analyse ceux-ci ; un collecteur de fraction (20) qui collecte des fractions liquides (SS) contenant un composant d'échantillon de l'échantillon liquide susmentionné ou une phase mobile qui a traversé un détecteur de composant du chromatographe (10) ; un analyseur spectroscopique Raman (30) qui utilise la spectroscopie Raman pour analyser les fractions liquides (SS) collectées par le collecteur de fractions (20) ; et une unité d'affichage de résumé d'analyse (45) qui affiche un écran de résumé d'analyse (SC4) contenant des éléments de données comprenant, alignés dans une direction prescrite, un identifiant d'échantillon indiquant l'échantillon liquide (S), un chromatogramme de l'échantillon liquide (S), qui constitue les résultats d'analyse du chromatographe, et le spectre Raman des fractions liquides (SS), qui constitue les résultats d'analyse de l'analyseur spectroscopique Raman.
PCT/JP2021/047818 2021-03-30 2021-12-23 Système d'analyse, procédé d'affichage pour un système d'analyse et programme pour un système d'analyse WO2022209072A1 (fr)

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Citations (4)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2001165922A (ja) * 1999-12-10 2001-06-22 Hitachi Ltd クロマトグラフ質量分析装置
JP2004251830A (ja) * 2003-02-21 2004-09-09 Hitachi High-Technologies Corp 質量分析計データ処理装置およびデータ処理方法
JP2014020857A (ja) * 2012-07-17 2014-02-03 Shimadzu Corp 分析データ表示処理装置
WO2014027652A1 (fr) * 2012-08-17 2014-02-20 独立行政法人科学技術振興機構 Procédé et dispositif pour analyse biomoléculaire utilisant une spectroscopie raman

Patent Citations (4)

* Cited by examiner, † Cited by third party
Publication number Priority date Publication date Assignee Title
JP2001165922A (ja) * 1999-12-10 2001-06-22 Hitachi Ltd クロマトグラフ質量分析装置
JP2004251830A (ja) * 2003-02-21 2004-09-09 Hitachi High-Technologies Corp 質量分析計データ処理装置およびデータ処理方法
JP2014020857A (ja) * 2012-07-17 2014-02-03 Shimadzu Corp 分析データ表示処理装置
WO2014027652A1 (fr) * 2012-08-17 2014-02-20 独立行政法人科学技術振興機構 Procédé et dispositif pour analyse biomoléculaire utilisant une spectroscopie raman

Non-Patent Citations (1)

* Cited by examiner, † Cited by third party
Title
ANONYMOUS: "LC-Raman LiChRa", 30 June 2021 (2021-06-30), XP055972110, Retrieved from the Internet <URL:https://www.an.shimadzu.co.jp/sites/an.shimadzu.co.jp/files/ckeditor/hplc/lc-raman/lcraman1.pdf> [retrieved on 20221018] *

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