JP7577197B2 - Analysis system, display method for analysis system, and program for analysis system - Google Patents

Description

The present invention relates to an analytical system that combines chromatography and Raman spectroscopy.

One type of hyphenated technology that combines multiple analytical techniques is the combination of chromatography and Raman spectroscopy. In order to perform such an analysis, Patent Document 1 uses a chromatograph that separates and analyzes a liquid sample into its components, a fraction collector that collects the liquid sample that has passed through the chromatograph detector, and a Raman spectroscopic analyzer that analyzes the sample components collected by the fraction collector using Raman spectroscopy.

These three instruments are often manufactured by different manufacturers because they are specialized for their respective analyses and operations. This requires the user to use separate software for each instrument to set up the analyses and operations of each instrument and to analyze the data obtained. When checking the Raman spectrum of a sample component on a Raman spectrometer and then checking the corresponding chromatogram of a liquid sample, the user starts the chromatograph software, searches for the chromatogram data corresponding to the sample component, and displays it separately.

However, this display method makes it difficult to compare chromatograms and Raman spectra and requires careful management of the correspondence between each piece of data, making it difficult to use in analysis.

International Publication No. 2014/027652

Therefore, the present invention aims to provide an easy-to-use analytical system that makes it easy to compare corresponding chromatograms and Raman spectra, even if each device is controlled and analyzed by individual software.

That is, the analytical system according to the present invention is characterized by comprising a chromatograph that separates and analyzes a liquid sample into its components, a fraction collector that collects sample components of the liquid sample that have passed through a component detector of the chromatograph, a Raman spectrometer that analyzes the collected liquid fractionated by the fraction collector based on Raman spectroscopy, and an analysis summary display unit that displays an analysis summary screen including data elements arranged in a predetermined direction, the chromatogram of the liquid sample being the analysis result of the chromatograph, the Raman spectrum of the collected liquid being the analysis result of the Raman spectrometer, and an analysis identifier linked to the chromatogram and the Raman spectrum.

The display method for an analytical system according to the present invention is a display method for an analytical result in an analytical system including a chromatograph for separating and analyzing a liquid sample into components, a fraction collector for fractionating sample components of the liquid sample that have passed through a component detector of the chromatograph, and a Raman spectrometer for analyzing the fractionated liquid fractionated by the fraction collector based on Raman spectroscopy, and is characterized in that the display method displays a chromatogram of the liquid sample, which is the analysis result of the chromatograph, a Raman spectrum of the fractionated liquid, which is the analysis result of the Raman spectrometer, and an analysis identifier linked to the chromatogram and the Raman spectrum, in a predetermined direction. Note that the order of the chromatogram, the Raman spectrum, and the analysis identifier in the data element with respect to the predetermined direction is not limited to the order described here, and may be in various orders.

In this way, the analysis summary display unit displays the analysis identifier, the chromatogram, and the Raman spectrum in the predetermined direction as the analysis summary screen, so that even if each device operates with its own dedicated software, it is possible to easily compare the corresponding chromatogram and Raman spectrum for a certain sample component. As a result, the user can easily consider what components are contained in a peak in the chromatogram from the Raman spectrum, and conversely, if there is no peak in the chromatogram, it is easy to consider unknown components or structures from the Raman spectrum.

In order to make it easier for the user to understand which region on the chromatogram the fraction was collected from and to make it easier for the user to consider the Raman spectrum, the analysis summary display unit may display, in the data elements, the fraction period from which the fraction was collected corresponding to the chromatogram.

In order to allow a user to not only compare the chromatogram with the Raman spectrum but also, for example, visually check the condition of the fractionated liquid and more easily consider the validity of the analysis results, the fraction collector is configured to drip the multiple fractionated liquids fractionated from the liquid sample into different wells on a plate having multiple wells formed therein, and the data elements further include the positions of the wells on the plate into which the fractionated liquids are dripped, and the analysis identifier, the chromatogram, the Raman spectrum, and the positions of the wells are arranged in the specified direction.

Even when multiple plates are prepared, in order to facilitate centralized management of the correspondence between each piece of data, the plates may be provided with an identification code indicating an individual plate name, the data elements may further include the plate name of the plate onto which the fractionation liquid has been dropped, and the analysis identifier, the chromatogram, the Raman spectrum, and the plate name may be arranged in the specified direction.

In order to facilitate comparison of multiple Raman spectra corresponding to multiple peaks or regions of the chromatogram and to facilitate consideration of the components and their structures contained in the liquid sample, when there are multiple data elements for the same liquid sample and different fractionated liquids, the analysis summary display unit may construct the analysis summary screen by arranging each data element in the chronological order in which the fractionated liquids were collected, in a direction perpendicular to the specified direction.

By comparing and examining the chromatogram and the Raman spectrum, it may become necessary to reanalyze either or both of the data under different analysis conditions than before. Conventionally, it was necessary to check the corresponding data file using dedicated software for each device and reanalyze it, and such operations were very cumbersome for the user. In order to reduce the effort required for such reanalysis, it is sufficient to further include an input receiving unit that receives a selection input for selecting the chromatogram or the Raman spectrum displayed on the analysis summary screen, and a reanalysis setting unit that displays a reanalysis screen corresponding to the selected chromatogram or the Raman spectrum.

In order to enable a user to easily compare the results of the reanalysis of the chromatogram with the corresponding Raman spectrum without performing any special operations, it is sufficient that, when the chromatogram is reanalyzed, the analysis summary display unit is configured to display an analysis summary screen in which the selected chromatogram has been changed to the reanalyzed chromatogram.

In order to facilitate a user's comparison of the reanalysis results of the Raman spectrum with the corresponding chromatogram while maintaining the validity of the data, when the Raman spectrum is reanalyzed, the analysis summary display unit may be configured to display an analysis summary screen to which new data elements have been added, including a newly assigned analysis identifier, the reanalyzed Raman spectrum, and the corresponding chromatogram before the reanalysis.

In order to achieve the same effects as the analytical system of the present invention in multiple existing independent devices by simply installing software, it is sufficient to use a program for an analytical system that includes a chromatograph that separates and analyzes a liquid sample into its components, a fraction collector that collects sample components from the liquid sample that have passed through a component detector of the chromatograph, and a Raman spectroscopic analyzer that analyzes the collected liquid using Raman spectroscopy, the program for the analytical system being characterized in that it 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, the data elements including a sample identifier that indicates the liquid sample, a chromatogram of the liquid sample which is the analysis result of the chromatograph, and a Raman spectrum of the sample components in the collected liquid which is the analysis result of the Raman spectroscopic analyzer.

The program for the analysis system may be distributed electronically or may be recorded on a program recording medium such as a CD, DVD, or flash memory.

Thus, according to the analytical system of the present invention, the analytical identifier, the chromatogram, and the Raman spectrum are displayed in the specified direction, so that even if each device operates with its own dedicated software, it is possible to easily compare the corresponding chromatogram and Raman spectrum for a given sample component, thereby improving the usability of the analytical system compared to conventional systems.

FIG. 1 is a schematic diagram showing a configuration of an analysis system according to an embodiment of the present invention. FIG. 2 is a functional block diagram showing configurations of an integrated management device, an LC control calculator, a fraction control calculator, and a Raman control calculator in the embodiment. 4 shows a portal screen, which is one of the operation screens displayed by the operation screen display unit in the embodiment. 4 shows a plate selection screen, which is one of the operation screens displayed by the operation screen display unit in the embodiment. 13 shows a drip range setting screen, which is one of the operation screens displayed by the operation screen display unit in the embodiment. 13 shows an analysis summary screen displayed by an analysis summary display unit in the embodiment. 6 shows a chromatographic reanalysis screen displayed by the operation of a reanalysis setting unit in this embodiment. 13 shows a Raman spectrum reanalysis screen displayed by the operation of a reanalysis setting unit in the 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 includes a chromatograph 10, a fraction collector 20, a Raman spectroscopic analyzer 30, and an integrated management device 40 that integrates and manages the settings of these operations, data analysis, and display of analysis results. The chromatograph 10, the fraction collector 20, and the Raman spectroscopic analyzer 30 are each equipped 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 work together to operate as one analysis system 100.

Details of each device are provided.

The chromatograph 10 separates and detects the components of the liquid sample S using liquid chromatography.

As shown in Figure 1, the chromatograph 10 is configured to separate the liquid sample S into its components by pumping the mobile phase Z stored in the storage section 11 up into the flow path 13 using the pump 12 and then injecting the liquid sample S into the flow path 13 and sending the liquid sample S together with the mobile phase Z to a separation column 14. A component detector 15 that detects the separated components of the liquid sample S is provided downstream of the separation column 14.

The mobile phase Z is, for example, a mixture of multiple types of liquids, and in this example, is a mixture of water and an organic solvent such as ethanol. However, the mobile phase Z may be a single liquid or 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 calculator 1C is configured with a dedicated or general-purpose computer, and executes a program dedicated to the chromatograph stored in memory, and its functions are realized by the cooperation of each device.

2, the LC control calculator 1C includes at least an LC control unit 1C1 that 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, and a chromatogram generation unit 1C2 that generates data related to a chromatogram of the liquid sample S based on the output signal of the component detector 15. In addition, the chromatogram generation unit 1C2 outputs data related to the generated chromatogram to the integrated management device 40. When the integrated management device 40 receives the chromatogram, it links a sample identifier indicating the liquid sample S to the chromatogram.

As shown in FIG. 1, the fraction collector 20 is provided downstream of the component detector 15 of the chromatograph 10, and collects the liquid sample S that has passed through the component detector 15 together with the mobile phase Z. In this embodiment, the fraction collector 20 is configured to drip multiple sample components collected from the liquid sample S into different wells W of a plate PL in which multiple wells W are formed in a matrix. In the following, the liquid collected by the fraction collector 20 on the plate PL is referred to as the collected liquid SS, and this collected liquid SS is a concept that includes not only a liquid containing a component derived from the liquid sample S in the mobile phase Z, but also a liquid consisting of only the mobile phase Z.

Here, the plate PL is provided with an identification code indicating the individual plate name. The identification code is, for example, a two-dimensional barcode such as DataMatrix (registered trademark), and is printed or engraved 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 barcode, or the unique position of a notch formed in the plate PL may be used as the identification code.

The fraction collector 20 is configured in detail to include a movable probe 21 connected to the outlet flow path of the component detector 15, and is configured to drop a predetermined amount of the fractionated liquid SS one after another into the wells W of the plate PL placed on the stage 22. Here, when the fractionated liquid SS is a portion corresponding to a peak in the chromatogram, it contains the sample components in the liquid sample S, but the fractionated liquid SS corresponding to the portion other than the peak may also contain a type of sample component that cannot be detected by the component detector 15.

In addition, a first code reader 23 for reading an identification code given to the plate PL is attached to the mobile probe 21. When the mobile 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 obtained.

The fraction collector 20 also includes a stacker 24 in which multiple plates PL are stored. The stacker 24 is used to hold plates PL before the separation liquid SS is dripped onto the wells W, or plates PL after the separation liquid SS is dripped onto the wells W until they are dried (solidified). A maximum of three plates can be placed on each of the three racks A, B, and C of the stacker 24. The plates PL are moved between the stacker 24 and the stage 22 by a transport mechanism (not shown). As described below, the integrated management device 40 displays on the display whether the plates PL in the stacker 24, which have already had the separation liquid SS dripped onto the wells W, have been dried and are already ready to be transported, or the drying time until they are dried and ready to be transported.

In addition, the fraction collector 20 further includes a fraction control calculator 2C that generates fraction information, which is information regarding the control of the movable probe 21, etc., and the dripping state of the fractionated liquid SS into each well W of each plate PL, etc.

The fraction control calculator 2C is composed of a dedicated or general-purpose computer, and executes a program dedicated to the fraction collector stored in memory, and its functions are realized through the cooperation of each device.

More specifically, as shown in FIG. 2, the fraction control calculator 2C includes at least a fraction control unit 2C1 that controls the position of the mobile probe 21 and the fractionation conditions (fractionation flow rate, fractionation time, etc.) of the fractionated liquid to be fractionated from the mobile probe 21 to the plate PL. The fraction control calculator 2C also includes a fraction information generating unit 2C2 that generates fraction information such as a predicted fraction result, which is the range of use of the wells W in the plate PL when the fractionated liquid SS is dropped based on the fraction setting information input from the integrated management device 40, and a fraction result when the fractionated liquid SS is actually dropped onto the plate PL. Data related to the fraction information generated by the fraction information generating unit 2C2 is transmitted to the integrated management device 40, and the integrated management device 40 links the fraction information to a sample identifier corresponding to the liquid sample S being fractionated. In addition, in the integrated management device 40, a unique sequence ID, which is an analysis identifier, is assigned to the plate name of the plate PL and each position of the wells W included in the fraction information. At this point, each analysis identifier is associated with the plate name, the position of the well W, a sample identifier indicating the liquid sample S, and a chromatogram of the liquid sample S. Furthermore, the integrated management device 40 generates and stores a correspondence between the position of the well W in the plate PL into which the fractionated liquid SS has been dropped and an area on the chromatogram.

Next, the Raman spectroscopic analyzer 30 will be described. The Raman spectroscopic analyzer 30 dries the mobile phase Z dropped into the wells W on the plate PL to produce the fractionated fraction SS, and then analyzes the sample components contained in the fractionated fraction SS based on Raman spectroscopy. The plate PL is transported to the Raman spectroscopic analyzer 30 by the user after drying in the fraction collector 20, but the plate PL may also be transported between the fraction collector 20 and the Raman spectroscopic analyzer 30 by an automatic work changer.

As shown in Figure 1, the Raman spectroscopic analysis apparatus 30 comprises a light irradiator 31 that irradiates excitation light such as laser light onto a well W on a plate PL that holds the fractionated liquid SS, a spectroscope 32 that disperses the Raman scattered light generated from the sample components when irradiated with the excitation light, a Raman scattering light detector 33 that detects the dispersed Raman scattered light, a camera 34 that takes a microscopic photograph of the well W being irradiated with light, and a second code reader 35 for reading an identification code attached to the plate PL.

In addition, the Raman spectroscopic analysis device 30 further includes a Raman control calculator 3C that controls the position at which the laser light emitted by the light irradiator 31 is irradiated on the plate PL and generates a Raman spectrum based on the output of the Raman scattering light detector 33.

The Raman control calculator 3C is composed of a dedicated or general-purpose computer, and executes a program dedicated to the Raman spectroscopic analysis device stored in memory, and its functions are realized through the collaboration of each device.

More specifically, as shown in FIG. 2, the Raman control calculator 3C includes a Raman control unit 3C1 that receives Raman spectroscopic analysis setting information from the integrated management device 40 and controls each device based on that information to perform Raman spectroscopic analysis of the sample components in each well W held on the plate PL, and a Raman spectrum generation unit 3C2 that generates data relating to the Raman spectrum based on the output from the Raman scattering light detector 33 obtained from the sample components in each well W.

The Raman control unit 3C1 sequentially irradiates the laser light to the multiple wells W to be analyzed based on the Raman spectroscopy analysis setting information. The Raman spectrum generating unit 3C2 transmits to the integrated management device 40 the Raman spectrum obtained from the sample components of each well W, in a set including 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 microscopic image data of the well W captured by the camera 34. Meanwhile, the integrated management device 40 further links the Raman spectrum to the analysis identifier corresponding to the well W of the plate PL whose Raman spectrum was measured. That is, when the Raman spectroscopy analysis is completed, 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 spectrum of the separated liquid SS are linked to each analysis identifier.

Next, the integrated management device 40 will be described. The integrated management device 40 is configured with a dedicated or general-purpose computer, and the program for the integrated management device stored in the memory is executed, and its functions are realized by the cooperation of each device. In addition, the integrated management device 40 is connected to the LC control calculator 1C, the fraction control calculator 2C, and the Raman control calculator 3C by a wired or wireless network, and the integrated management device 40 transmits chromatographic setting information, fraction setting information, and Raman spectroscopy setting information for setting analysis parameters, etc. to each of the control calculators 1C, 2C, and 3C. In addition, the integrated management device 40 receives information on the analysis results obtained from each of the control calculators 1C, 2C, and 3C and the operation results performed on the plate PL.

Specifically, as shown in FIG. 2, the integrated management device 40 includes at least an input receiving unit 41 that receives input from a user, an operation screen display unit 42 that displays operation screens for each of the devices 10, 20, and 30 on the display DP, a setting information generation unit 43 that generates chromatographic setting information, fraction setting information, and Raman spectroscopy setting information related to analysis based on user input on the operation screen and transmits the information to each of the devices 10, 20, and 30, a database 44 that stores the chromatographic setting information, fraction setting information, and Raman spectroscopy setting information generated by the setting information generation unit 43, information on the analysis results and operation results received from each of the devices 10, 20, and 30, information on the plate PL being used, etc., an analysis summary display unit 45 that displays an integrated analysis summary screen on the display DP based on the information recorded in the database 44, and a reanalysis setting unit 46 that displays a corresponding reanalysis screen on the display DP based on user input on the analysis summary screen.

The input reception unit 41 receives input from the user via input devices such as a keyboard or mouse into an operation screen or an analysis overview screen, etc.

The operation screen display unit 42 displays an operation screen for setting the analysis or displaying the analysis results as shown in Figures 3 to 5 on the display DP. The operation screen shown in Figure 3 is a portal screen SC1 for selecting the settings for the analysis of the chromatograph 10, the fraction collector 20, or the Raman spectrometer 30, or the display of the analysis results stored in the database 44. Specifically, in the left column of the portal screen SC1, an LC region R1 that serves as an entrance for setting the chromatograph 10, a fraction region R2 that serves as an entrance for setting the fraction collector 20, a Raman region R3 that serves as an entrance for setting the Raman spectrometer 30, and a data viewer region R4 that serves as an entrance to an analysis summary screen for displaying integrated analysis results are set. When the user clicks on the relevant part of each region, the window of the corresponding screen is displayed in the window display region on the right side of the portal screen SC1.

Figures 4 and 5 are examples of an operation screen of the fraction collector 20 that is displayed as a window when, for example, fraction region R2 is selected by the user.

Figure 4 shows the plate selection screen SC2 for setting which plate PL set in the stacker 24 is to be used to collect the liquid sample S. When the read button is selected, the identification code of the selected plate PL is read by the first code reader 23 of the fraction collector 20. The liquid sample S being analyzed by the chromatograph 10 and the plate name of the plate PL used for collection are then linked and stored in the database 44.

Figure 5 shows a drop range setting screen SC3 for setting the drop range of the fractionated liquid SS on the plate PL based on the setting chromatogram. The user selects the fraction period for which the fractionated liquid SS derived from the component detector 15 of the chromatograph 10 is to be collected by moving the bar displayed on the setting chromatogram while referring to the setting chromatogram. Alternatively, the user can set the fraction period by inputting the start time and end time as numerical values. The user also sets the drop time from the movable probe 21 to each well W as the drop amount. When these settings are made, the setting information generating unit 43 transmits the setting information to the fraction information generating unit 2C2 of the fraction control calculator 2C. The integrated management device 40 then receives the prediction result calculated by the fraction information generating unit 2C2 as to the range to which the liquid will be dropped from the position of the well W where the dropping starts, and the operation screen display unit 42 displays it on the image of the plate PL on the drop range setting screen SC3.

When the settings for dropping are finally approved by the user, the setting information generation unit 43 generates fraction setting information such as the fraction collection parameters to be sent to the fraction collector 20. The generated setting information is then sent from the integrated management device 40 to the fraction control calculator 2C, and the fraction control unit 2C1 controls each device of the fraction collector 20 to collect the sample components onto the actual plate PL.

The operation screen displayed by the operation screen display unit 42 is not limited to the fraction collector 20. When the LC region R1 is selected by the user on the portal screen SC1 in FIG. 3, the operation screen of the chromatograph 10 is displayed, and when the Raman region R3 on the portal screen SC1 is selected by the user, the operation screen of the Raman spectrometer 30 is displayed. Based on the user's input to each operation screen, the setting information generation unit 43 generates chromatographic setting information or Raman spectroscopic analysis setting information used for the chromatograph 10 or the Raman spectrometer 30, and transmits it to the corresponding device 10, 30. In addition, the necessary data processing is performed in each device 10, 30, and the results are transmitted to the integrated management device 40, and the results are displayed on each operation screen. In this way, the settings required to start the analysis can be made only by inputting to the integrated management device 40, and a series of analyses can be performed without operating the dedicated software of each device 10, 20, 30.

Next, we will explain how to display the analysis results.

When the user selects the data viewer area R4 on the portal screen SC1, the analysis summary display unit 45 generates the analysis summary screen SC4 shown in FIG. 6 by referring to the analysis results and operation results received from each device 10, 20, 30 recorded in the database 44, and displays it as a window. The analysis summary screen SC4 is a vertical arrangement of multiple data elements DE in which the chromatogram of the sample, which is the analysis result of the chromatograph 10, the Raman spectrum of the fractionated liquid SS (sample component), which is the analysis result of the Raman spectroscopic analysis device 30, and the sequence ID, which is the analysis identifier to which the chromatogram and the Raman spectrum are linked, are arranged horizontally. The data element DE further includes the plate name of the plate PL from which the sample component was fractionated, and the position of the well W into which the sample component subjected to Raman spectroscopic analysis was dropped. In this embodiment, the analysis result of the sample component fractionated on one well W is configured to be displayed as one row of data elements DE. Specifically, the data element DE includes information on the following items from left to right. That is, a sequence ID for managing a series of analyses, a plate ID which is the plate name, a well number which indicates the position of the well W where the Raman spectroscopic analysis was performed, a sample ID which is a sample identifier, a sample name set for analysis by the chromatograph 10, a first operator ID which indicates the operator who performed the analytical operation using the chromatograph 10, the date the analysis by the chromatograph was performed, a chromatogram obtained from the liquid sample S indicated by the sample ID, a sample name set for analysis by the Raman spectroscopic analyzer 30, a second operator ID which indicates the operator who performed the analytical operation using the Raman spectroscopic analyzer 30, the date the Raman spectroscopic analysis was performed, and a Raman spectrum obtained by Raman spectroscopic analysis at the well position indicated by the well number in the plate PL indicated by the plate ID are arranged in a horizontal row to form a data element DE.

In addition, the analysis summary display unit 45 displays the fraction period of the sample component separated into the well W where the Raman spectroscopic analysis was performed on the analysis summary screen SC4, superimposed on the chromatogram. In this embodiment, a hatched band is overlapped on the time region on the chromatogram corresponding to the fraction period during which the separated liquid SS was separated. Furthermore, the results of Raman spectroscopic analysis performed on different well positions for the same liquid sample S in multiple data elements DE are displayed adjacent to each other as shown in each data element DE in the first to third rows. More specifically, each data element DE is arranged adjacently in the chronological order in which the separated liquid SS was separated from the top to the bottom. In this way, in the analysis summary screen SC4 displayed by the analysis summary display unit 45, a plate information region R5 is formed in the left column in which information about the plate PL extending in the vertical direction is displayed, an LC information region R6 is formed in the center column in which information about the chromatogram and separation extending in the vertical direction is displayed, and a Raman information region R7 is formed in the right column in which information about the Raman spectrum extending in the vertical direction is displayed.

In this way, the analysis summary screen SC4 displays the chromatogram and the Raman spectrum in a row, so that the chromatogram and the Raman spectrum can be easily compared. For example, the user can easily consider from the Raman spectrum what components are contained in the peaks in the chromatogram. Conversely, if there is no peak in the chromatogram, it is easy to consider unknown components or structures from the Raman spectrum. Furthermore, since the area where the separated liquid SS is separated is displayed on the chromatogram, the user can easily understand the correspondence between them. In addition, since the operator who performed the analysis operation using the chromatograph 10 and the analysis device using the Raman spectroscopic analysis device 30 can be registered separately, it is possible to strictly check whether the analysis was performed by an operator who is familiar with the operation of each device 10, 30, 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 in close proximity to each other, it is easy to check whether the results were obtained by separating the same liquid sample S or different liquid samples S, even if similar chromatograms are arranged vertically.

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

When the user selects any chromatogram or Raman spectrum on the analysis summary screen SC4 by operating the mouse or the like, the reanalysis setting unit 46 displays a reanalysis screen as shown in FIG. 7 or FIG. 8 corresponding to the selected chromatogram or Raman spectrum. More specifically, when any chromatogram is selected on the analysis summary screen SC4, the reanalysis setting unit 46 accesses the LC control calculator 1C and causes the chromatogram generation unit 1C2 to execute a program for reanalysis. Then, the reanalysis setting unit 46 displays the chromatogram reanalysis screen SC5 of FIG. 7 on the display DP of the integrated management device 40. That is, the dedicated software for when the chromatograph 10 is used alone is automatically started and becomes available for use in the integrated management device 40. In addition, the chromatogram generation unit 1C2 accesses the database 44 to obtain the chromatogram selected by the user and the related setting information, etc. This loaded information is automatically reflected on the chromatogram reanalysis screen SC5.

In the chromatogram reanalysis screen SC5 in Figure 7, for example, the channel and frequency to be used as data can be set, and the chromatogram generation unit 1C2 outputs the reanalysis results of the chromatogram according to the setting change. The reanalyzed chromatogram is sent to the database 44, and the analysis summary display unit 45 changes the chromatogram before the reanalysis to the chromatogram after the reanalysis and updates the analysis summary screen SC4. In other words, even if a chromatogram is reanalyzed, only the chromatogram linked to the analysis identifier is updated to the chromatogram after the reanalysis, and the number of data elements DE and the number of displayed rows in the analysis summary screen SC4 do not change.

On the other hand, when the user selects any Raman spectrum on the analysis summary screen SC4, the reanalysis setting unit 46 accesses the Raman control calculator 3C and causes the Raman spectrum generation unit 3C2 to execute a program for reanalysis. Then, the reanalysis setting unit 46 displays the Raman spectrum reanalysis screen SC6 of FIG. 8 on the display DP of the integrated management device 40. That is, the dedicated software for when the Raman spectroscopic analysis device 30 is used alone is automatically started and becomes available for use in the integrated management device 40. In addition, the Raman spectrum generation unit 3C2 accesses the database 44 to acquire the Raman spectrum selected by the user and the associated Raman spectroscopic analysis setting information, etc. This loaded information is configured to be automatically reflected on the Raman spectrum reanalysis screen SC6.

When parameters related to the analysis are changed on the Raman spectrum reanalysis screen SC6 in Fig. 8, the Raman spectrum generation unit 3C2 outputs the reanalysis results of the Raman spectrum according to the setting changes. The reanalyzed Raman spectrum is sent to the database 44, and a new analysis identifier is linked to the chromatogram that was paired with the Raman spectrum before the reanalysis and the reanalyzed Raman spectrum. The analysis summary display unit 45 then adds a new data element DE in which the chromatogram that was paired with the Raman spectrum before the reanalysis, the reanalyzed Raman spectrum, and the new analysis identifier are arranged in a horizontal row to the analysis summary screen SC4.

Because the reanalysis setting unit 46 is configured in this way, when reanalysis becomes necessary, it is not necessary to directly access the chromatograph 10 or the Raman spectrometer 30 to execute dedicated software separately, and further to select the data to be reanalyzed, as in the past. In other words, by simply operating the integrated management device 40 and selecting the target chromatogram or Raman spectrum from the analysis summary screen SC4, the selection of data required for reanalysis and the start of the software are automatically completed. Therefore, the user can easily reanalyze the data that has caught his/her attention by comparing the chromatograph and Raman spectrum on the analysis summary screen SC4. In addition, when the reanalysis is completed, the analysis summary display unit 45 automatically updates the configuration of the analysis summary screen SC4, so that, for example, the appropriateness of the reanalysis can be easily judged by comparing it with other data elements DE, etc.

Other embodiments are described below.

The configuration of the analysis summary screen SC4 is not limited to the configuration shown in Fig. 6. For example, the data elements may be configured by arranging paired chromatograms and Raman spectra vertically in a row, and each data element may be arranged horizontally.

The data elements may include at least an identifier for the liquid sample, a chromatogram of an analysis of the liquid sample, and a Raman spectrum. The data elements may include items other than those described in the embodiments.

If a chromatogram is reanalyzed, new data elements may be added and the analysis summary screen may be updated, and conversely, if a Raman spectrum is reanalyzed, the original Raman spectrum may be overwritten and the analysis summary screen may be updated.

The functions of each part constituting the integrated management device are not limited to those realized by a normal computer. For example, the functions of each part described in the embodiment may be realized by installing software for the integrated management device on a mobile terminal such as a tablet terminal or a smartphone, and transmitting and receiving data between each device and the electronic terminal via wireless communication. In addition, the functions of each part may be realized in a server without performing substantial calculations on the mobile terminal, and the analysis summary screen generated by the analysis summary display unit and the operation screen generated by the operation screen display unit may be displayed on the mobile terminal.

In addition, various modifications of the embodiments and combinations of parts of each embodiment may be made without going against the spirit of the present invention.

The present invention provides an easy-to-use analytical system that allows easy comparison of corresponding chromatograms and Raman spectra for a given sample component.

100: Analysis system 10: Chromatograph 11: Storage unit 12: Pump 13: Flow path 14: Separation column 15: Component detector Z: Mobile phase S: Liquid sample SS: Separation liquid 1C: LC control calculator 1C1: LC control unit 1C2: Chromatogram generator 2C: Fraction control calculator 2C1: Fraction control unit 2C2: Fraction information generator 3C: Raman control calculator 3C1: Raman control unit 3C2: Raman spectrum generator 20: Fraction collector 21: Mobile probe 22: Stage 23: First code reader 24: Stacker 30: Raman spectroscopic analyzer 31: Light irradiator 32: Spectrometer 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 generating section 44 : Database 45 : Analysis summary display section 46 : Reanalysis setting section DP : Display W : Well SC1 : Portal screen DE : Data element R1 : LC region R2 : Fraction region R3 : Raman region R4 : Data viewer region SC2 : Plate selection screen SC3 : Dropping range setting screen SC4 : Analysis summary screen R5 : Plate information region R6 : LC information region R7 : Raman information region SC5 : Chromatogram reanalysis screen SC6 : Raman spectrum reanalysis screen

Claims (11)

A chromatograph that separates and analyzes liquid samples into their components;
a fraction collector that collects a mobile phase that has passed through a component detector of the chromatograph or a fraction containing a sample component of the liquid sample;
a Raman spectroscopic analyzer that analyzes the fraction collected by the fraction collector based on Raman spectroscopy;
an analysis summary display unit that displays an analysis summary screen including data elements in which a chromatogram of the liquid sample, which is an analysis result of the chromatograph, a Raman spectrum of the fractionated liquid, which is an 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 ;
The analysis system, wherein the analysis summary display unit displays, on the analysis summary screen, a plurality of the data elements each representing the same liquid sample but each representing a different aliquot, in a direction perpendicular to the predetermined direction. The analysis system according to claim 1, wherein the analysis summary display unit displays, in the data elements, the fraction period during which the fractionated liquid was collected on the chromatogram. the fraction collector is configured to drop a plurality of fractions of the liquid sample into different wells of a plate having a plurality of wells formed therein;
3. The analytical system of claim 1, wherein the data elements further include the positions of the wells on the plate into which the aliquots are dropped, and the analysis identifiers, the chromatograms, the Raman spectra, and the positions of the wells are arranged in the specified direction. The plate has an identification code indicating an individual plate name;
The analytical system according to claim 3 , wherein the data elements further include a plate name of the plate onto which the aliquot is dropped, and the analysis identifier, the chromatogram, the Raman spectrum, and the plate name are arranged in the predetermined direction. The analysis system according to any one of claims 1 to 4, wherein the analysis summary display unit forms the analysis summary screen by arranging each data element in a direction perpendicular to the predetermined direction in the chronological order in which the fractionated liquid was fractionated. an input receiving unit that receives a selection input for selecting the chromatogram or the Raman spectrum displayed on the analysis summary screen;
The analysis system according to claim 1 , further comprising a reanalysis setting unit that displays a reanalysis screen corresponding to the selected chromatogram or Raman spectrum. The analysis system according to claim 6, wherein, when the chromatogram is reanalyzed, the analysis summary display unit is configured to display an analysis summary screen in which the selected chromatogram is changed to the reanalyzed chromatogram. The analysis system according to claim 6 or 7, wherein, when the Raman spectrum is reanalyzed, the analysis summary display unit is configured to display an analysis summary screen to which new data elements including a newly assigned analysis identifier, the reanalyzed Raman spectrum, and the corresponding chromatogram before the reanalysis are added. A method for displaying an analysis result in an analysis system including a chromatograph that separates a liquid sample into components and analyzes the components, a fraction collector that collects a fraction of a sample liquid containing sample components of the liquid sample that has passed through a component detector of the chromatograph, and a Raman spectroscopic analyzer that analyzes the fraction of the sample collected by the fraction collector based on Raman spectroscopy, comprising:
displaying an analysis summary screen including data elements in which a chromatogram of the liquid sample, which is an analysis result of the chromatograph, a Raman spectrum of the fractionated liquid, which is an 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;
A display method for an analysis system , comprising: displaying a plurality of said data elements, each of which is the same liquid sample but each of which is a different fraction, on said analysis summary screen in a direction perpendicular to said predetermined direction . A program for use in an analysis system including a chromatograph that separates a liquid sample into components and analyzes the components, a fraction collector that collects a fraction of a sample liquid containing sample components of the liquid sample that has passed through a component detector of the chromatograph, and a Raman spectroscopic analyzer that analyzes the fraction of the sample collected by the fraction collector based on Raman spectroscopy,
a chromatogram of the liquid sample which is the analysis result of the chromatograph, a Raman spectrum of the separated liquid which is the analysis result of the Raman spectroscopic analyzer, and an analysis identifier linked to the chromatogram and the Raman spectrum, and causes a computer to function as an analysis summary display unit which displays on the analysis summary screen a plurality of data elements, each of which is for the same liquid sample but for different separated liquids, arranged in a direction perpendicular to the predetermined direction . A chromatograph that separates and analyzes liquid samples into their components;
a fraction collector that collects a mobile phase that has passed through a component detector of the chromatograph or a fraction containing a sample component of the liquid sample;
a Raman spectroscopic analyzer that analyzes the fraction collected by the fraction collector based on Raman spectroscopy;
an analysis summary display unit that displays an analysis summary screen including data elements in which a chromatogram of the liquid sample, which is an analysis result of the chromatograph, a Raman spectrum of the fractionated liquid, which is an 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;
the analysis system, wherein the analysis summary display unit configures the analysis summary screen by arranging a plurality of data elements, each of which corresponds to the same liquid sample but each of which corresponds to a different collection liquid , in chronological order in which the collection liquid was collected, in a direction perpendicular to the specified direction.

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