WO2022209072A1

WO2022209072A1 - Analysis system, display method for analysis system, and program for analysis system

Info

Publication number: WO2022209072A1
Application number: PCT/JP2021/047818
Authority: WO
Inventors: 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)
Original assignee: 株式会社島津製作所; 株式会社堀場製作所
Priority date: 2021-03-30
Filing date: 2021-12-23
Publication date: 2022-10-06
Also published as: JPWO2022209072A1

Abstract

In order to provide an analysis system that is user-friendly and allows easy comparison of a corresponding chromatogram and Raman spectrum even when multiple devices perform control or analysis with individual software, the present invention comprises: a chromatograph 10 that separates a liquid sample S into components and analyzes the same; a fraction collector 20 that collects liquid fractions SS containing a sample component of the aforementioned liquid sample or a mobile phase that has passed through a component detector of the chromatograph 10; a Raman spectroscopic analyzer 30 that uses Raman spectroscopy to analyze the liquid fractions SS collected by the fraction collector 20; and an analysis summary display unit 45 that displays an analysis summary screen SC4 containing data elements comprising, aligned in a prescribed direction, a sample identifier indicating the liquid sample S, a chromatogram of the liquid sample S, which is the analysis results of the chromatograph, and the Raman spectrum of the liquid fractions SS, which is the analysis results of the Raman spectroscopic analyzer.

Description

Analysis system, display method for analysis system, and program for analysis system

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. In 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.

These three devices are specialized for their respective analysis and operations, so they are often manufactured by different manufacturers. For this reason, the user needs to use separate software for each device to perform analysis and operation settings for each device, and to analyze the obtained data. When confirming the chromatogram of the corresponding liquid sample after confirming the Raman spectrum of a sample component alone in the Raman spectroscopic analyzer, start the chromatographic software and obtain the chromatogram data corresponding to the sample component. It will be searched and displayed separately.

However, with this display method, it is difficult to compare chromatograms and Raman spectra, and the correspondence between each data must be carefully managed, which is inconvenient for analysis.

WO2014/027652

Therefore, it is an object of the present invention to provide a user-friendly analysis system that facilitates comparison of corresponding chromatograms and Raman spectra even if each device is controlled and analyzed by individual software.

That is, the analysis system according to the present invention 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

Further, a display method for an analysis system according to the present invention 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.

With such a configuration, 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.

In order to make it easier for the user to make it easier for the user to make considerations based on the Raman spectrum by making it easier to understand in which region on the chromatogram the fractionated liquid was fractionated, 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.

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.

Even when a plurality of the plates are prepared, in order to facilitate centralized management of the correspondence of each data, 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.

In order to make it easier to compare a plurality of Raman spectra corresponding to a plurality of peaks and regions of the chromatogram, and to make it easier to consider the components contained in the liquid sample and their structures, the liquid sample is the same. When there are a plurality of data elements different from each of the liquids to be collected, 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.

By comparing chromatograms and Raman spectra, it may be necessary to reanalyze either or both data under different analysis conditions than before. Conventionally, the corresponding data files must be checked and re-analyzed using dedicated software for each device, and such operations have been very troublesome for users. In order to reduce the labor involved in such reanalysis, 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.

In order to allow the user to easily compare the result of reanalyzing the chromatogram and the corresponding Raman spectrum without performing any special operation, when the chromatogram is reanalyzed, the It is sufficient that the analysis summary display section displays an analysis summary screen in which the selected chromatogram is changed to a reanalyzed chromatogram.

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.

In order to be able to enjoy the same effect as the analysis system according to the present invention only by installing software in a plurality of existing independent devices, 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, and 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.

As described above, according to the analysis system of the present invention, 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.

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. Specifically, as shown in FIG. 1, 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.

I will explain each device in detail.

The chromatograph 10 separates and detects each component of the liquid sample S by liquid chromatography.

As shown in FIG. 1, 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. However, 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.

More specifically, as shown in FIG. 2, 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. FIG. In addition, the chromatogram generator 1C2 outputs data on the generated chromatogram to the integrated management device 40. FIG. Upon receiving the chromatogram, 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. In this embodiment, 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. ing. In the following, 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.

Here, 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. Note that the identification code is not limited to this, and may be a QR code (registered trademark) or a one-dimensional bar code. may

The configuration of the fraction collector 20 will be described in detail. It is configured to drop SS in predetermined amounts one after another. Here, when the portion corresponding to the peak in the chromatogram of the fractionated liquid SS is fractionated, 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 .

Also, a first code reader 23 is attached to the mobile probe 21 for reading the identification code given to the plate PL. When the movable probe 21 moves to the initial position with the plate PL placed on the stage 22, 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. is configured as follows.

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 .

In addition, 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.

More specifically, as shown in FIG. 2, 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.). In addition, 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. Further, in the integrated management device 40, 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. At this point, 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. Furthermore, 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.

Next, the Raman spectroscopic analysis device 30 will be explained. 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. As for 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.

As shown in FIG. 1, 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. A spectroscope 32 for spectroscopy the Raman scattered light generated from the sample component by , a Raman scattered light detector 33 for detecting the spectrally separated Raman scattered light, and a camera 34 for taking a micrograph of the well W irradiated with light. and a second code reader 35 for reading the identification code given to the plate PL.

In addition, 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.

More specifically, as shown in FIG. 2, 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 control unit 3C1 for executing Raman spectroscopic analysis on the sample components on each well W in which the Raman spectrum is generated based on the output from the Raman scattering light detector 33 obtained from the sample components in each well W. and 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 . On the other hand, 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. That is, when the Raman spectroscopic analysis is completed, for each analysis identifier, the plate name, the position of the well W, the sample identifier indicating the liquid sample S, the chromatogram of the liquid sample S, and the Raman The spectrum becomes linked.

Next, the integrated management device 40 will be explained. 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.

Specifically, as shown in FIG. 2, 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; and 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. be. Specifically, in the left column of the portal screen SC1, 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., and a Raman spectrometer are displayed. 30, and a data viewer area R4 serving as an entrance to an analysis summary screen for displaying integrated analysis results. When the user clicks the corresponding portion of each area, the window of the corresponding screen is displayed in the window display area on the right side of the portal screen SC1.

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. Also, 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. Then, 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 .

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. When the user selects the LC region R1 on the portal screen SC1 of FIG. When the Raman region R3 of the portal screen SC1 is selected by the user, 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.

Next, I will explain the display of analysis results.

When the user selects the data viewer area R4 on the portal screen SC1, 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. In addition, 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. In this embodiment, the analysis results of the sample components dispensed on one well W are displayed as one row of data elements DE. Specifically, the data element DE contains information on the following items from left to right. That is, 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.

In addition, 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. In this embodiment, a hatched band overlaps the time region corresponding to the fraction period during which the sample liquid SS was collected on the chromatogram. Furthermore, 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. In this manner, 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.

In this way, on the analysis summary screen SC4, the chromatogram and the Raman spectrum are displayed side by side, making it possible to easily compare the chromatogram and the Raman spectrum. For example, the user can easily consider from the Raman spectrum what components are included in the peaks in the chromatogram. Conversely, if there is no peak in the chromatogram, it becomes easy to consider unknown components and structures from the Raman spectrum. Furthermore, since the areas where the fractionated liquid SS is fractionated are displayed on the chromatogram, the user can easily comprehend the correspondence between them. In addition, since 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. can be rigorously confirmed, and it is easy to ensure the reliability of the analysis. In addition, since the sequence ID, plate ID, well number, and sample ID are arranged close to each other, even if similar chromatograms are arranged in the vertical direction, the same liquid sample S can be separated and obtained. It is also easy to confirm whether it is the result obtained by dividing the liquid sample S or whether it is the result obtained by fractionating another liquid sample S.

Next, I will explain the reanalysis of the analysis results.

When the user selects one of the chromatograms or Raman spectra by mouse operation or the like on the analysis overview screen SC4, 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.

For example, 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.

On the other hand, when the user selects any Raman spectrum on the analysis overview screen SC4, 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. In other words, 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.

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. Then, 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.

Since 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.

Other embodiments will be described.

The configuration of the analysis summary screen SC4 is not limited to the configuration shown in FIG. For example, 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.

When the chromatogram is reanalyzed, new data elements can be added and the analysis overview screen can be updated. Conversely, when the Raman spectrum is reanalyzed, the original Raman spectrum can be overwritten and the analysis overview You can refresh the screen.

The functions of the parts that make up the integrated management device are not limited to those whose functions are realized by ordinary computers. For example, by installing the software for the integrated management device on a portable terminal such as a tablet terminal or a smartphone and exchanging data between each device and the electronic terminal by wireless communication, the function of each part explained in the embodiment is realized. may In addition, 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.

In addition, as long as it does not contradict the gist of the present invention, various modifications of the embodiments and combinations of parts of the embodiments may be made.

According to the present invention, it is possible to provide an easy-to-use analysis system that can easily compare chromatograms and Raman spectra corresponding to a certain sample component.

100: Analysis system 10: Chromatograph 11: Reservoir 12: Pump 13: Flow path 14: Separation column 15: Component detector Z: Mobile phase S: Liquid sample SS: Separated liquid 1C: LC control calculator 1C1: LC Control unit 1C2: Chromatogram generation unit 2C: Fraction control arithmetic unit 2C1: Fraction control unit 2C2: Fraction information generation unit 3C: Raman control arithmetic unit 3C1: Raman control unit 3C2: Raman spectrum generation unit 20: Fraction collector 21: Mobile type Probe 22 : Stage 23 : First code reader 24 : Stacker 30 : Raman spectroscopic analyzer 31 : Light irradiator 32 : Spectroscope 33 : Raman scattering light detector 34 : Camera 35 : Second code reader 40 : Integrated management device 41 : Input reception unit 42 : Operation screen display unit 43 : Setting information generation unit 44 : Database 45 : Analysis outline display unit 46 : Re-analysis setting unit DP : Display W : Well SC1 : Portal screen DE : Data element R1 : LC area R2 : Fraction area R3 : Raman area R4 : Data viewer area SC2 : Plate selection screen SC3 : Dropping range setting screen SC4 : Analysis summary screen R5 : Plate information area R6 : LC information area R7 : Raman information area SC5 : Chromatogram reanalysis screen SC6: Raman spectrum reanalysis screen

Claims

A chromatograph for separating and analyzing a liquid sample for each component,
A fraction collector that collects a fractionated liquid containing a sample component of the mobile phase or the liquid sample that has passed through the component detector of the chromatograph;
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, a Raman spectrum of the preparative liquid that is the analysis result of the Raman spectrometer, and an analysis identifier associated with the chromatogram and the Raman spectrum an analysis summary display unit for displaying an analysis summary screen including data elements arranged in a predetermined direction.
The analysis system according to claim 1, wherein the analysis summary display unit displays, in the data element, the fraction period during which the fractionated liquid is fractionated on the chromatogram in association with each other.
The fraction collector is configured to drop a plurality of the fractionated liquids fractionated from the liquid sample into different wells on a plate in which a plurality of wells are formed,
2. The data element further includes the position of the well on the plate where the preparative liquid was dropped, and the analytical identifier, the chromatogram, the Raman spectrum, and the position of the well are aligned in the predetermined direction. 3. The analysis system according to any one of 2.
The plate comprises an identification code indicating an individual plate name,
4. Any one of claims 1 to 3, wherein the data element further includes a plate name of the plate onto which the fractionating liquid is dropped, and the analysis identifier, the chromatogram, the Raman spectrum, and the plate name are arranged in the predetermined direction. or the analysis system according to claim 1.
When there are a plurality of data elements in which the liquid sample is the same and the preparative liquid is different,
5. The analysis summary display unit according to any one of claims 1 to 4, wherein the analysis summary screen is configured by arranging each data element in a direction orthogonal to the predetermined direction in chronological order in which the fractionated liquid is collected. The analytical system described.
an input reception unit that receives a selection input for selecting the chromatogram or the Raman spectrum displayed on the analysis overview screen;
The analysis system according to any one of claims 1 to 5, further comprising a reanalysis setting unit that displays a reanalysis screen corresponding to the selected chromatogram or Raman spectrum.
7. The method according to claim 6, wherein when the chromatogram is reanalyzed, the analysis summary display unit displays an analysis summary screen in which the selected chromatogram is changed to the reanalyzed chromatogram. analysis system.
When the Raman spectrum is reanalyzed, the analysis summary display unit includes a newly assigned analysis identifier, a reanalyzed Raman spectrum, and a corresponding chromatogram before reanalysis. 8. The analysis system of any one of claims 6 or 7, configured to display an analysis summary screen with added data elements.
A chromatograph that separates and analyzes each component of a liquid sample, a fraction collector that fractionates the sample components of the liquid sample that have passed through a component detector of the chromatograph, and the fractionation that has been fractionated by the fraction collector. A method for displaying analysis results in an analysis system comprising a Raman spectroscopic analyzer that analyzes a liquid based on Raman spectroscopy,
A chromatogram of the liquid sample that is the analysis result of the chromatograph, a Raman spectrum of the preparative liquid that is the analysis result of the Raman spectroscopic analyzer, and an analysis identifier associated with the chromatogram and the Raman spectrum , are displayed side by side in a predetermined direction.
A chromatograph that separates and analyzes each component of a liquid sample, a fraction collector that fractionates the sample components of the liquid sample that have passed through a component detector of the chromatograph, and the fractionation that has been fractionated by the fraction collector. A program used in an analysis system comprising a Raman spectroscopic analyzer that analyzes a liquid based on Raman spectroscopy,
A chromatogram of the liquid sample that is the analysis result of the chromatograph, a Raman spectrum of the preparative liquid that is the analysis result of the Raman spectroscopic analyzer, and an analysis identifier associated with the chromatogram and the Raman spectrum A program for an analysis system that causes a computer to function as an analysis summary display unit that displays an analysis summary screen including data elements arranged in a predetermined direction.