阅读说明：本技术 分析支援装置、分析支援方法及计算机可读取介质 (Analysis support device, analysis support method, and computer-readable medium ) 是由 渡辺覚 于 2021-05-07 设计创作，主要内容包括：本发明为一种分析支援装置、分析支援方法及计算机可读取介质,可向用户提供与在分析装置中色谱图中所包含的波峰有关的有用信息。本发明的分析支援装置包括：色谱图生成部,使用从分析装置获得的测定数据生成色谱图；面积计算部,求出色谱图中所包含的各波峰的面积百分率；判定部,判定色谱图中所包含的各波峰的分离状态；以及分析支援信息显示部,将分析支援信息显示于显示器。分析支援信息显示部包括色谱图显示部,所述色谱图显示部将色谱图生成部所生成的色谱图显示于显示器,并且当一个波峰的面积百分率为规定的阈值以上,且在判定部中判定为一个波峰是未分离的波峰时,识别显示一个波峰。(The present invention provides an analysis supporting apparatus, an analysis supporting method, and a computer-readable medium, which can provide useful information on peaks included in a chromatogram in an analysis apparatus to a user. An analysis support device according to the present invention includes: a chromatogram generation unit that generates a chromatogram using measurement data obtained from the analysis device; an area calculating unit for calculating the area percentage of each peak included in the chromatogram; a determination unit that determines a separation state of each peak included in the chromatogram; and an analysis support information display unit that displays the analysis support information on the display. The analysis support information display unit includes a chromatogram display unit that displays the chromatogram generated by the chromatogram generation unit on a display, and recognizes and displays one peak when the area percentage of the one peak is equal to or greater than a predetermined threshold value and the determination unit determines that the one peak is an unseparated peak.)

1. An analysis support device, comprising:

a chromatogram generation unit that generates a chromatogram using measurement data obtained from the analysis device;

an area calculating unit that calculates an area percentage of each peak included in the chromatogram;

a determination unit configured to determine a separation state of each peak included in the chromatogram; and

an analysis support information display unit that displays the analysis support information on a display; and is

The analysis support information display unit includes a chromatogram display unit,

the chromatogram display unit displays the chromatogram generated by the chromatogram generation unit on the display, and recognizes and displays one peak when the area percentage of the one peak is equal to or greater than a predetermined threshold value and the determination unit determines that the one peak is an unseparated peak.

2. The analysis support apparatus according to claim 1,

the analysis support apparatus further includes an estimation unit,

the estimation unit estimates a distribution of measurement quality index data using a plurality of analysis condition data given to an analysis device and a plurality of measurement data obtained by the analysis device based on the plurality of analysis condition data,

the analysis support information display unit includes a measurement quality index display unit that displays a distribution of the measurement quality index data,

the chromatogram display unit displays the chromatogram in accordance with a position of one analysis condition data in a distribution area of the measurement quality index data displayed by the measurement quality index display unit, in accordance with a designation operation of the one analysis condition data.

3. The analysis support apparatus according to claim 2,

the chromatogram display unit displays the chromatogram in a superimposed manner in a distribution region of the measurement quality index data.

4. The analysis support apparatus according to any one of claims 1 to 3,

the chromatogram display unit displays peaks that are determined not to be separated by the determination unit in different forms according to area percentages.

5. An analysis support method comprising the steps of:

generating a chromatogram using measurement data obtained from an analysis device;

determining an area percentage of each peak included in the chromatogram;

determining a separation state of each peak included in the chromatogram; and

and displaying the generated chromatogram on a display, and recognizing and displaying one peak when the area percentage of the one peak is equal to or more than a predetermined threshold and the one peak is determined to be an unseparated peak in the determination step.

6. A computer-readable medium storing an analysis support program, the computer-readable medium causing a computer to execute:

generating a chromatogram using measurement data obtained from an analysis device;

determining an area percentage of each peak included in the chromatogram;

determining a separation state of each peak included in the chromatogram; and

and displaying the generated chromatogram on a display, and recognizing and displaying one peak when the area percentage of the one peak is equal to or more than a predetermined threshold and the one peak is determined to be an unseparated peak in the determination process.

Technical Field

The present invention relates to an analysis support device, an analysis support method, and a computer-readable medium storing an analysis support program.

Background

There are analyzers that analyze components of a sample. The data measured by the analyzer includes data on impurities present in the sample. Therefore, the chromatogram created based on the measurement data includes minute peaks of impurities in addition to the peaks of the sample. Impurities generally need to be confirmed according to guidelines, and time and labor are required. Therefore, the confirmation of impurities becomes a factor of increasing the cost of the analysis step and the development step.

International publication No. 2013-035639 discloses a data processing device for a chromatograph. The data processing apparatus disclosed in international publication No. 2013-035639 can determine whether or not a peak in a chromatogram contains impurities.

Further, by performing regression analysis between the analysis conditions and the measurement quality index, the distribution of the measurement quality index can be estimated. Further, the user is presented with a range exceeding the threshold in the distribution of the measurement quality index as a design space, thereby supporting the method search operation.

Disclosure of Invention

According to the data processing apparatus disclosed in international publication No. 2013-035639, the user can obtain a judgment material as to whether the peak included in the chromatogram originates from a component or is generated from an impurity. Further, it is beneficial to a user using the analysis apparatus as long as various information on peaks included in the chromatogram can be provided.

The object of the present invention is to provide useful information to a user about peaks contained in a chromatogram in an analysis apparatus.

An analysis support device according to an aspect of the present invention includes: a chromatogram generation unit that generates a chromatogram using measurement data obtained from the analysis device; an area calculating unit for calculating the area percentage of each peak included in the chromatogram; a determination unit that determines a separation state of each peak included in the chromatogram; and an analysis support information display unit that displays the analysis support information on the display. The analysis support information display unit includes a chromatogram display unit that displays the chromatogram generated by the chromatogram generation unit on a display, and recognizes and displays one peak when the area percentage of the one peak is equal to or greater than a predetermined threshold value and the determination unit determines that the one peak is an unseparated peak.

Drawings

Fig. 1 is an overall diagram of an analysis system according to the present embodiment.

Fig. 2 is a configuration diagram of a computer according to the present embodiment.

Fig. 3 is a functional block diagram of the computer according to the present embodiment.

Fig. 4 is a diagram showing a chromatogram obtained by the liquid chromatograph.

Fig. 5 is a diagram showing peaks in a chromatogram.

Fig. 6 is a diagram showing a response surface showing a distribution of degrees of separation.

Fig. 7 is a diagram showing a design space of distribution with respect to the degree of separation.

Fig. 8 is a flowchart showing an analysis support method according to the present embodiment.

Fig. 9 is a flowchart showing an analysis support method according to the present embodiment.

Fig. 10 is a diagram showing an analysis support screen displayed on the display.

Fig. 11 (a) and 11 (B) are diagrams showing an analysis support screen displayed on the display.

Fig. 12 is a diagram showing an analysis support screen displayed on the display.

Detailed Description

Next, the configuration of the analysis supporting apparatus, method, and program according to the embodiments of the present invention will be described with reference to the drawings attached hereto.

(1) Integrated structure of analysis system

Fig. 1 is an overall diagram of an analysis system 5 according to the present embodiment. The analysis system 5 includes a computer 1 and a liquid chromatograph 3. The computer 1 and the liquid chromatograph 3 are connected via a network 4. The Network 4 is, for example, a Local Area Network (LAN).

The computer 1 has a function of setting analysis conditions for the liquid chromatograph 3, a function of obtaining measurement results in the liquid chromatograph 3 and analyzing the measurement results, and the like. The computer 1 has installed therein a program for controlling the liquid chromatograph 3.

The liquid chromatograph 3 includes: a pump unit, an autosampler unit, a column incubator unit, a detector unit, and the like. In addition, the liquid chromatograph 3 includes a system controller. The system controller controls the liquid chromatograph 3 in accordance with a control instruction received from the computer 1 via the network 4. The system controller transmits data of the measurement result of the liquid chromatograph 3 to the computer 1 via the network 4.

(2) Configuration of computer (analysis support device)

Fig. 2 is a block diagram of the computer 1. In the present embodiment, the computer 1 is a personal computer. The computer 1 includes: a Central Processing Unit (CPU) 101, a Random Access Memory (RAM) 102, a Read Only Memory (ROM) 103, a display 104, an operation Unit 105, a storage device 106, a communication interface 107, and a device interface 108.

The CPU 101 controls the computer 1. The RAM 102 is used as a work area when the CPU 101 executes programs. The ROM 103 stores a control program and the like. The display 104 is, for example, a liquid crystal display. The operation unit 105 is a device for receiving an operation by a user, and includes a keyboard, a mouse, and the like. The display 104 includes a touch panel display, and the display 104 may function as the operation unit 105. The storage device 106 is a device that stores various programs and data. The storage device 106 is, for example, a hard disk. The communication interface 107 is an interface for communicating with other computers and devices. The communication interface 107 is connected to the network 4. The device interface 108 is an interface for accessing various external devices. The CPU 101 can access the storage medium 109 via an external device apparatus connected to the device interface 108.

The storage device 106 stores the analysis support program P1, the analysis condition data AP, the measurement data MD, the measurement quality index data MQ, and the distribution data DD. The analysis support program P1 is a program for controlling the liquid chromatograph 3. The analysis support program P1 includes a function of setting analysis conditions for the liquid chromatograph 3, a function of analyzing measurement results such as obtaining measurement results from the liquid chromatograph 3 and generating a chromatogram, and the like. The analysis condition data AP is data in which analysis conditions set for the liquid chromatograph 3 are described, and includes a plurality of analysis parameters. The measurement data MD is data of the measurement result obtained from the liquid chromatograph 3. The measurement quality index data MQ is data used to evaluate the quality of the measurement result obtained from the liquid chromatograph 3. The measured quality index data MQ includes retention time data RTD and separation degree data RD. The distribution data DD is data indicating the distribution of the measurement quality index data MQ estimated based on the analysis condition data AP actually set to the liquid chromatograph 3 and the measurement data MD actually measured by the liquid chromatograph 3. The distribution data DD represents a response surface of the measured quality index data MQ. The distribution and response curve of the measured quality index data MQ will be described in detail later.

Fig. 3 is a functional block diagram of the computer 1. The control unit 200 is a functional unit realized by the CPU 101 executing the analysis support program P1 using the RAM 102 as a work area. The control section 200 includes: an analysis management unit 201, a calculation unit 202, an estimation unit 203, an analysis support information display unit 204, a chromatogram generation unit 207, an area calculation unit 208, and a determination unit 209.

The analysis management unit 201 controls the liquid chromatograph 3. The analysis management unit 201 receives a user setting of the analysis condition data AP and an instruction to start the analysis process, and instructs the liquid chromatograph 3 to perform the analysis process. The analysis management unit 201 also acquires measurement data MD from the liquid chromatograph 3.

The calculation unit 202 calculates the measurement quality index data MQ based on the measurement data MD indicating the measurement result in the liquid chromatograph 3. The calculation unit 202 calculates the retention time data RTD and the separation degree data RD as the measurement quality index data MQ.

The estimation unit 203 estimates distribution data DD representing the distribution of the measurement quality index data MQ based on the analysis condition data AP used for actual measurement and the measurement quality index data MQ actually calculated based on the analysis condition data AP. That is, the distribution data DD includes an estimated value of the measurement quality index data MQ with respect to the analysis condition data AP that is not actually used for measurement. The estimation unit 203 performs regression analysis to estimate the distribution data DD.

The analysis support information display unit 204 displays information for analysis support on the display 104 using the chromatogram generated by the chromatogram generation unit 207, the measurement quality index data MQ estimated by the estimation unit 203, the distribution data DD, and the like. The analysis support information display unit 204 includes a measurement quality index display unit 205 and a chromatogram display unit 206.

The chromatogram generation unit 207 generates a chromatogram based on the measurement data MD. The area calculating unit 208 calculates the area percentage of each peak included in the chromatogram. The determination unit 209 determines the separation state of each peak included in the chromatogram based on the separation degree data RD.

(3) Measurement of quality index and design space

Next, the measurement quality index and the design space will be described with reference to fig. 4 to 6. Fig. 4 is a diagram showing a chromatogram 30 obtained by the liquid chromatograph 3. In the separation column included in the liquid chromatograph 3, components contained in a sample are separated. The separated components are detected in a detector included in the liquid chromatograph 3. The detector detects an absorption spectrum, a refractive index, or light scattering of each component separated in the separation column. The chromatogram 30 shown in fig. 4 represents the signal intensity of the absorption spectrum and the like of each component detected in the detector of the liquid chromatograph 3.

Fig. 5 is a diagram showing two peaks PK1, PK2 in the chromatogram 30. The retention times of the peak PK1 and the peak PK2 are rt1 and rt2, respectively. The peak widths of the peak PK1 and the peak PK2 are W1 and W2, respectively. Further, peak widths at half maximum (full widths at half maximum) of peaks PK1 and PK2 were Wh1 and Wh 2. In this case, the degrees of separation R of the peaks PK1 and PK2 are represented by the following expression (1) or (2), for example.

(1)R＝2×(rt2－rt1)/(W1+W2)

(2)R＝1.18×{(rt2－rt1)/(Wh1+Wh2)}

A larger value of the separation degree R means that adjacent peaks are more separated. For example, when the degree of separation R is 1.5 or more, or 2.0 or more, it is determined that adjacent peaks are completely separated.

It is considered that the measurement result by the liquid chromatograph 3 is valid when the separation degree R exceeds a predetermined threshold value (for example, 2.0). That is, the resolution R is one of the measurement quality indexes in the liquid chromatograph 3. A plurality of peaks corresponding to a plurality of components appear in the chromatogram 30. The minimum separation degree R among the plurality of separation degrees R calculated from the plurality of peaks may be used as the measurement quality index. Alternatively, the retention time rt1 and the retention time rt2 are also one of the measurement quality indexes of the liquid chromatograph 3.

By actually giving a plurality of analysis condition data AP to the liquid chromatograph 3, a plurality of measurement data MD can be obtained. The separation degree data RD corresponding to each analysis condition data AP may be calculated from the actually measured measurement data MD. Then, from the plurality of analysis condition data AP and the plurality of separation degree data RD obtained from the plurality of analysis condition data AP, the distribution of the separation degree data RD can be obtained by regression analysis. That is, the distribution of the measured quality index data MQ can be obtained from the plurality of analysis condition data AP and the plurality of separation degree data RD.

Specifically, a regression expression between a plurality of analysis condition data AP actually used and a plurality of separation degree data RD calculated from measurement data MD actually measured is obtained. Then, the regression expression is applied to other analysis condition data AP which is not actually used, thereby estimating the degree of separation data RD with respect to these other analysis condition data AP. Thereby, the distribution of the resolution data RD as an index of the measurement quality is obtained. That is, the regression expression represents the distribution of the separation degree data RD as an index of the measured quality. Alternatively, the distribution of the retention time data RTD may be estimated by regression analysis, and the separation degree data RD may be calculated from the estimated retention time data RTD. Bayesian inference can be used in the regression analysis.

Fig. 6 is a diagram showing an example of the response curved surface 33 as the distribution of the separation degree data RD. That is, the graph shows the distribution of the resolution data RD as the measurement quality index. Fig. 6 depicts a response curved surface 33 representing a change in the degree of separation R with respect to two analysis parameters 31A, 31B as analysis conditions. That is, when a combination of analysis parameters 31A and 31B is specified as an analysis condition, the degree of separation R corresponding to the combination is obtained from the response curved surface 33.

Fig. 7 is a diagram showing a design space with respect to the distribution of the separation degree R. In the response curved surface 33 shown in fig. 6, a threshold value of the degree of separation R as an index of measurement quality is set, and a design space 35 as an allowable range of the degree of separation R is obtained. Fig. 7 is a diagram in which a region where the degree of separation R is equal to or greater than a threshold value (for example, 2.0) is drawn as a design space 35 in the response curved surface 33 shown in fig. 6. In fig. 7, the hatched area is a design space 35. In the region of the design space 35, it is shown that the separation degree R as the measurement quality index is limited within the allowable range even when the analysis parameters 31A and 31B are changed.

(4) Analysis support method

Next, an analysis supporting method executed by the computer 1 (analysis supporting apparatus) according to the present embodiment will be described. Fig. 8 and 9 are flowcharts showing an analysis support method according to the present embodiment. Before starting the processing shown in fig. 8, the user previously operates the operation unit 105 to set a plurality of analysis conditions. Specifically, the user sets a combination of set values of analysis parameters such as solvent concentration, solvent mixture ratio, initial gradient value, gradient slope, column temperature, and the like as analysis conditions. The user sets a plurality of sets of these analysis parameters. For example, a combination of analysis parameters for changing the solvent concentration little by little, a combination of analysis parameters for changing the column temperature little by little, or the like is set as the analysis conditions. The analysis management unit 201 receives such a user setting operation and stores a plurality of analysis condition data AP in the storage device 106.

Next, in step S101 shown in fig. 8, the analysis management unit 201 sets a plurality of analysis condition data AP for the liquid chromatograph 3. Specifically, the analysis management unit 201 sets a plurality of analysis condition data AP to the system controller of the liquid chromatograph 3. Accordingly, the liquid chromatograph 3 performs a plurality of analysis processes on the same sample based on the plurality of set analysis condition data AP. In the liquid chromatograph 3, a plurality of pieces of measurement data MD are acquired corresponding to a plurality of pieces of analysis condition data AP.

Next, in step S102, the analysis management unit 201 acquires a plurality of pieces of measurement data MD from the liquid chromatograph 3. The analysis management unit 201 stores the acquired measurement data MD in the storage device 106.

Next, in step S103, the calculation unit 202 acquires the plurality of measurement data MD stored in the storage device 106 in step S102, and acquires the plurality of retention time data RTD and the plurality of half-width data WhD from the plurality of acquired measurement data MD. Each measurement data MD includes a plurality of peaks. Therefore, a plurality of retention time data RTD and a plurality of half-width data WhD corresponding to a plurality of peaks are obtained from each measurement data MD.

Next, in step S104, the calculation unit 202 calculates a plurality of separation degree data RD using the plurality of retention time data RTD and the plurality of half-width data WhD acquired in step S103. The calculation unit 202 calculates the separation degree data RD based on the retention time data RTD and the half-width data WhD by using the above-described equation (2). In the present embodiment, the half-width data WhD is acquired and the separation degree data RD is calculated by the equation (2), but the peak width may be acquired and the separation degree data RD may be calculated by the equation (1).

Next, in step S105, the estimating unit 203 performs regression analysis based on the plurality of analysis condition data AP and the plurality of separation degree data RD. Thus, the estimating unit 203 calculates a regression expression between the analysis condition and the degree of separation. Then, in step S106, the estimating unit 203 estimates the distribution of the separation degree data RD based on the regression expression. In the present embodiment, bayesian estimation is used for regression analysis. In addition, as the regression analysis, a least square method can also be used.

By executing the above steps S101 to S106 by the analysis support program P1 in the computer 1, the degree-of-separation data RD is also estimated for analysis conditions other than the analysis conditions actually executed. Thus, the estimation unit 203 creates the distribution data DD using the separation degree data RD as the measurement quality index. The estimation unit 203 stores the distribution data DD in the storage device 106.

Next, in step S107, the chromatogram generation unit 207 generates a chromatogram based on the measurement data MD. The chromatogram generation unit 207 generates a plurality of chromatograms corresponding to the plurality of measurement data MD.

Then, in step S108, the area calculation unit 208 calculates the area percentage of each peak included in the chromatogram. The area calculating unit 208 calculates the area percentage of each peak for each of the plurality of chromatograms. The percentage of the area of each peak is a ratio of the area of each peak to the sum of the areas of all peaks of each chromatogram. The area of each peak is the area of the portion excluding the lower portion from the base line.

Next, in step S109, the determination unit 209 determines the separation state of each peak in each chromatogram based on the separation degree data RD. When the separation degree R of each peak is lower than a predetermined threshold value, the determination unit 209 determines that the peaks are not separated (connected). For example, the determination unit 209 determines that the peaks are not separated when the separation degree R is 1.0 or less. As described above, for example, when the degree of separation R is 2.0 or more, it is determined that the peaks are completely separated.

Through the above steps S101 to S109, the analysis support program P1 obtains the chromatogram of the analysis result and the distribution of the measurement quality index estimated from the analysis result. Fig. 10 is a diagram showing an analysis support screen 210 displayed on the display 104 by the analysis support information display unit 204. The analysis support screen 210 includes: a method list display area 220, a chromatogram display area 230, and a measurement quality index display area 240. The chromatogram display area 230 is displayed by the chromatogram display unit 206. The measurement quality index display area 240 is an area for displaying the design space, and is displayed by the measurement quality index display unit 205.

A plurality of analysis condition data AP are displayed in a list in the method list display area 220. A list of analysis condition data AP includes a plurality of analysis parameters X, Y.

The chromatogram generated by the chromatogram generation unit 207 is displayed in the chromatogram display area 230. The chromatogram displayed in the chromatogram display area 230 is a chromatogram corresponding to any one of the plurality of analysis condition data AP displayed in the method list display area 220. In the example shown in fig. 10, the analysis condition data AP of No.2 is highlighted in the method list display area 220, and the chromatogram corresponding to the analysis condition data AP of No.2 is displayed in the chromatogram display area 230.

As described above, the measurement quality index display area 240 is displayed by the measurement quality index display unit 205. The distribution of the resolution data RD as the measurement quality index is displayed in the measurement quality index display area 240. The horizontal axis of the distribution is an analysis parameter X, and the vertical axis is an analysis parameter Y. The distribution of the separation degree data RD represents the relationship of the two analysis parameters X, Y with the separation degree data RD.

In addition, a solid line 241 in the figure indicates an effective region where the resolution data RD becomes 2.0 or more of the threshold value in the 50% percentile. The broken line 242 in the graph indicates an effective region where the resolution data RD becomes 2.0 or more of the threshold value at 80% percentile. The broken line 243 in the figure indicates an effective region where the separation data RD becomes 2.0 or more of the threshold value at 90% percentile. In the present embodiment, the separation degree data RD displayed in the measurement quality index display area 240 has a probability distribution because it is calculated by bayesian estimation. Therefore, a design space in which the resolution data RD becomes 2.0 or more threshold value is drawn for each percentile.

In addition, an analysis condition index 245 is displayed in the measurement quality index display area 240. This represents the point of the analysis condition data AP currently selected. Then, the chromatogram corresponding to the analysis condition data AP specified by the analysis condition pointer 245 is displayed on the chromatogram display area 230. That is, the analysis condition data AP highlighted in the method list display area 220 matches the analysis condition data AP specified by the analysis condition pointer 245 in the measurement quality index display area 240. The selected position in the method list display area 220 is interlocked with the specified position of the analysis condition pointer 245, and the states of both are changed by operating either one.

Fig. 9 is a flowchart showing a method of displaying a chromatograph in the analysis support method. First, in step S201, the chromatogram display unit 206 determines whether or not an operation for specifying the analysis condition data AP has been accepted. For example, the user performs an operation of designating any analysis condition data AP by selecting and operating any one of the columns in the method list display area 220. Alternatively, the user performs an operation of designating any of the analysis condition data AP by designating any of the areas of the measurement quality index display area 240 by the analysis condition pointer 245.

Next, in step S202, the chromatogram display unit 206 acquires the chromatogram corresponding to the analysis condition data AP specified in step S201.

Next, the chromatogram display unit 206 acquires the area percentage of each peak from the area calculation unit 208. The chromatogram display unit 206 acquires the separation state of each peak from the determination unit 209. Then, in step S203, the chromatogram display unit 206 displays the peaks that are not separated and have an area percentage of 0.05% or more in red.

Then, in step S204, the chromatogram display unit 206 displays peaks that are not unseparated and have an area percentage of 0.05% or more but less than 0.10% in light blue. The chromatogram display unit 206 displays, in blue, peaks that are not yet separated and have an area percentage of 0.10% or more but less than 0.15%. The chromatogram display unit 206 displays a peak having an area percentage of 0.15% or more but less than 1.0% in purple, which is not unseparated. Furthermore, peaks that are not unseparated and have an area percentage of 1.0% or more are not recognized and displayed because they are considered to be peaks derived from components. In addition, peaks having an area percentage of less than 0.05% are ignored as impurities and are not recognized.

Fig. 10 shows an example in which the peak 232 is not unseparated and is displayed in blue because the area percentage is 0.10% or more and less than 0.15%. In addition, an example in which the peak 233 is displayed in red because it is not separated and the area percentage is 0.05% or more is shown. The area percentage of the peaks 231 was 1.0% or more, and was not recognized and shown because it was considered to be a peak derived from a component.

As described above, according to the analysis support apparatus of the present embodiment, the chromatogram generated by the chromatogram generation unit 207 is displayed on the display 104. At this time, when the area percentage of the peaks included in the chromatogram is equal to or greater than a predetermined threshold value and the determination unit 209 determines that the peaks are not separated, the peaks are recognized and displayed. In the example, the area percentage is 0.05% or more and the unseparated peaks are identified in red. Thus, according to the analysis supporting apparatus of the present embodiment, useful information on peaks included in the chromatogram can be provided to the user. The user can study the setting of the new analysis condition data AP by confirming the existence of the unseparated peak.

The analysis supporting apparatus of the present embodiment displays the distribution of the measurement quality index data on the display 104. Then, the chromatogram display unit 206 displays a chromatogram corresponding to the position of the specified analysis condition data AP in the distribution region of the measurement quality index data, in accordance with the specification operation of any one of the analysis condition data AP. Thus, the user can grasp the relationship between the distribution of the measurement quality index and the state of the peak. The user can grasp in which region the peak is not separated in the distribution of the measurement quality index.

Fig. 11 (a) and 11 (B) are diagrams showing chromatograms that change with a change in analysis condition data AP. Fig. 11 (a) is a diagram showing a chromatogram displayed on the display 104 based on certain analysis condition data AP. As shown in the figure, the peak 233 was recognized and displayed in red because it was not separated and the area percentage was 0.05% or more. The user changes the analysis condition data AP in order to separate the peaks 233. Fig. 11 (B) is a diagram showing a chromatogram displayed on the display 104 based on the changed analysis condition data AP. In fig. 11 (B), the area percentages of the peaks 234 and 235 are less than 0.05%, and are not recognized and displayed. It is understood that the peak 233 in fig. 11 (a) is separated into the peak 234 and the peak 235 in fig. 11 (B). As such, by identifying the disappearance of the displayed unseparated peaks in red, the user can recognize that the analysis condition data AP is optimized.

In addition, the user can analyze the chromatogram by referring to the peaks displayed in bluish, blue, purple colors. The area percentage of the peaks identified in light blue was 0.05% or more. For example, the user can grasp a peak displayed in bluish identification as a peak required for management. The percentage of the area of the peak identified in blue was 0.10% or more. For example, the user can grasp a peak displayed in blue recognition as a peak required for the structure determination. The percentage area of the peak identified by purple color was 0.15% or more. For example, the user can grasp a peak displayed in purple as a peak necessary for toxicity evaluation.

(5) Correspondence between each constituent element of the technical means and each element of the embodiments

Hereinafter, description will be given of examples of correspondence between each constituent element of the embodiments and each element of the embodiments, but the present invention is not limited to the examples described below. In the above embodiment, the liquid chromatograph 3 is an example of an analysis device. In the above embodiment, the computer 1 is an example of an analysis support device.

As each constituent element of the claims, various elements having the structures or functions described in the claims may be used.

(6) Other embodiments

In the embodiment shown in fig. 10, the analysis support screen 210 includes a chromatogram display area 230 and a measurement quality index display area 240. Thereby, the chromatogram is displayed separately from the distribution of the measurement quality index. Fig. 12 is a diagram showing a chromatogram display method according to another embodiment. In the analysis support screen 210 shown in fig. 12, the chromatogram is superimposed on the distribution of the measurement quality index. Further, the analysis condition pointer 245 is linked to the chromatogram to perform drawing. This allows the user to more clearly understand the relationship between the analysis condition data AP and the chromatogram.

In the above embodiment, the liquid chromatograph 3 is described as an example of the analysis device of the present invention. Further, the present invention can also be applied to a gas chromatograph. In the above-described embodiment, a case where the computer 1 as the analysis support apparatus of the present embodiment is connected to the liquid chromatograph 3 as the analysis apparatus via the network 4 is described as an example. In another embodiment, the computer 1 may be built in the analysis device.

In the above embodiment, the case where the analysis support program P1 is stored in the storage device 106 has been described as an example. In another embodiment, the analysis support program P1 may be stored in the storage medium 109 and provided. The CPU 101 may access the storage medium 109 via the device interface 108 and store the analysis support program P1 stored in the storage medium 109 in the storage device 106 or the ROM 103. Alternatively, the CPU 101 may access the storage medium 109 via the device interface 108 and execute the analysis support program P1 stored in the storage medium 109.

The specific configuration of the present invention is not limited to the above-described embodiments, and various changes and modifications can be made without departing from the scope of the present invention.

(7) Form of the composition

Those skilled in the art will appreciate that the above-described exemplary embodiments are specific examples of the following forms.

(first item)

An analysis support device according to an aspect of the present invention includes:

a chromatogram generation unit that generates a chromatogram using measurement data obtained from the analysis device;

an area calculating unit that calculates an area percentage of each peak included in the chromatogram;

a determination unit configured to determine a separation state of each peak included in the chromatogram; and

an analysis support information display unit for displaying the analysis support information on a display,

the analysis support information display unit includes a chromatogram display unit,

the chromatogram display unit displays the chromatogram generated by the chromatogram generation unit on the display, and recognizes and displays one peak when the area percentage of the one peak is equal to or greater than a predetermined threshold value and the determination unit determines that the one peak is an unseparated peak.

Thus, according to the analysis supporting apparatus of the present embodiment, useful information on peaks included in the chromatogram can be provided to the user. The user can study the setting of new analysis condition data by confirming the existence of the unseparated peak.

(item II)

The analysis support apparatus according to the first aspect, wherein,

the analysis supporting apparatus may further include an estimation unit,

the estimation unit estimates a distribution of measurement quality index data using a plurality of analysis condition data given to an analysis device and a plurality of measurement data obtained by the analysis device based on the plurality of analysis condition data,

the analysis support information display unit includes a measurement quality index display unit that displays a distribution of the measurement quality index data,

the chromatogram display unit displays the chromatogram in accordance with a position of one analysis condition data in a distribution area of the measurement quality index data displayed by the measurement quality index display unit, in accordance with a designation operation of the one analysis condition data.

Thus, the user can grasp the relationship between the distribution of the measurement quality index and the state of the peak. The user can grasp in which region the peak is not separated in the distribution of the measurement quality index.

(third item)

The analysis support apparatus according to the second aspect, wherein,

the chromatogram display unit may display the chromatogram in a superimposed manner in a distribution region of the measurement quality index data.

This allows the user to more clearly understand the relationship between the analysis condition data and the chromatogram.

(fourth item)

The analysis support apparatus according to any one of the first to third aspects, wherein,

the chromatogram display unit may display peaks determined to be not separated by the determination unit in different forms according to area percentages.

Thus, the user can clearly grasp the size of the peak from the area percentage of the peak.

(fifth item)

An analysis support method according to another aspect of the present invention includes the steps of:

generating a chromatogram using measurement data obtained from an analysis device;

determining an area percentage of each peak included in the chromatogram;

determining a separation state of each peak included in the chromatogram; and

and displaying the generated chromatogram on a display, and recognizing and displaying one peak when the area percentage of the one peak is equal to or more than a predetermined threshold and the one peak is determined to be an unseparated peak in the determination step.

(sixth item)

A computer-readable medium storing an analysis support program according to another aspect of the present invention causes a computer to execute:

generating a chromatogram using measurement data obtained from an analysis device;

determining an area percentage of each peak included in the chromatogram;

determining a separation state of each peak included in the chromatogram; and

and displaying the generated chromatogram on a display, and recognizing and displaying one peak when the area percentage of the one peak is equal to or more than a predetermined threshold and the one peak is determined to be an unseparated peak in the determination process.