Method and program for assisting development of analysis procedure
A program for assisting in determining a combination of parameter values of analysis conditions suitable for an intended analysis, makes a computer operate as: a graph-displaying section which displays, on a screen, a graph created based on data collected with a chromatograph device, to show a relationship between the parameter values and an analysis result obtained with the chromatograph device or a result of analytical processing based on the analysis result; an input-receiving section which receives a user's input of a constraint condition which specifies the upper/lower limit or range of a numerical value representing the analysis result or analytical-processing result; a search-conducting section which conducts a search for a combination of the parameter values which yields the analysis result or analytical-processing result in which the numerical value satisfies a predetermined search condition under the constraint condition; and a search-result-displaying section which displays a search result on the graph.
1 . A method performed by a computer for assisting the development of an analysis procedure, in which an analysis result obtained with a chromatograph device is used to assist a task of determining a combination of a first parameter and a second parameter included in an analysis condition suitable for an intended analysis, the method comprising:
preparing a plurality of analysis conditions each including a value of the first parameter and a value of the second parameter, and a plurality of chromatogram data each of which corresponds to one of the plurality of analysis conditions, wherein the value of the first parameter is different between at least two of the plurality of analysis conditions and the value of the second parameter is different between at least two of the plurality of analysis conditions;
obtaining, as a result value of a processing result, a number of peaks or a resolution of the peaks for each of the plurality of chromatogram data,
displaying, on a screen of a display, a graph showing a relationship between the first parameter, the second parameter, and the processing result;
receiving an input, by a user, of a constraint condition which specifies an upper limit, a lower limit or a range of a numerical value with respect to the processing result;
searching and determining a target combination of a first target value of the first parameter and a second target value of the second parameter such that an estimated processing result value for the target combination based on the relationship satisfies the constraint condition; and
displaying the determined target combination on the graph displayed on the screen.
2 . The method for assisting the development of an analysis procedure according to claim 1 , wherein a search condition is previously determined such that the processing result value should be largest under the constraint condition.
3 . The method for assisting the development of an analysis procedure according to claim 1 , further comprising:
receiving a further input, by the user, of an allowable width for each of the first parameter and the second parameter; and
searching the target combination within a search range in which the estimated processing result value satisfies the constraint condition even when the target value of the first parameter and/or the target value of the second parameter are varied by the respective allowable widths.
4 . The method for assisting the development of an analysis procedure according to claim 3 , wherein the search condition is that the processing result value should be largest within the search range.
5 . The method for assisting the development of an analysis procedure according to claim 1 , further comprising:
displaying, upon an input of a specified combination of a specified value of the first parameter and a specified value of the second parameter at an arbitrary position on the graph, a measured chromatogram or a predicted chromatogram corresponding to the specified combination.
6 . The method for assisting the development of an analysis procedure according to claim 5 , further comprising
displaying a measured chromatogram or a predicted chromatogram corresponding to the target combination.
7 . The method for assisting the development of an analysis procedure according to claim 1 , wherein
a graph having axes which corresponds to the first parameter and the second parameter is created.
8 . A non-transitory computer readable medium recording a program for assisting the development of an analysis procedure, in which an analysis result obtained with a chromatograph device is used to assist a task of determining a combination of a first parameter and a second parameter included in an analysis condition suitable for an intended analysis, the program configured to make a computer perform operations of:
preparing a plurality of analysis conditions each including a value of the first parameter and a value of the second parameter, and a plurality of chromatogram data each of which corresponds to one of the plurality of analysis conditions, wherein the value of the first parameter is different between at least two of the plurality of analysis conditions and the value of the second parameter is different between at least two of the plurality of analysis conditions:
obtaining, as a result value of a processing result, a number of peaks or a resolution of the peaks for each of the plurality of chromatogram data;
displaying, on a screen of a display, a graph showing a relationship between the first parameter, the second parameter, and the processing result;
receiving an input, by a user, of a constraint condition which specifies an upper limit, a lower limit or a range of a numerical value with respect to the processing result;
searching and determining a target combination of a first target value of the first parameter and a second target value of the second parameter such that an estimated processing result value for the target combination based on the relationship satisfies the constraint condition; and
displaying the determined target combination on the graph displayed on the screen.
9 . The non-transitory computer readable medium recording a program for assisting the development of an analysis procedure according to claim 8 , wherein a search condition is previously determined such that the numerical value representing the processing result value should be largest under the constraint condition.
10 . The non-transitory computer readable medium recording a program for assisting the development of an analysis procedure according to claim 8 , wherein the program is further configured to make the computer perform operations of:
receiving an input, by the user, of an allowable width for each of the first parameter and the second parameter; and
searching the target combination within a search range in which the estimated processing result value satisfies the constraint condition even when the target value of the first parameter and/or the target value of the second parameter are varied by the respective allowable widths.
11 . The non-transitory computer readable medium recording a program for assisting the development of an analysis procedure according to claim 10 , wherein the search condition is that the processing result value should be largest within the search range.
12 . The non-transitory computer readable medium recording a program for assisting the development of an analysis procedure according to claim 8 , wherein the program is further configured to make the computer perform an operation of:
displaying, upon an input of a specified combination of a specified value of the first parameter and a specified value of the second parameter at an arbitrary position on the graph, a measured chromatogram or a predicted chromatogram corresponding to the specified combination.
13 . The non-transitory computer readable medium recording a program for assisting the development of an analysis procedure according to claim 8 , wherein the program is further configured to make the computer perform an operation of:
displaying a measured chromatogram or a predicted chromatogram corresponding to the target combination.
14 . The non-transitory computer readable medium recording a program for assisting the development of an analysis procedure according to claim 8 , wherein the program is further configured to make the computer perform an operation of:
creating a graph having axes which corresponds to the first parameter and the second parameter.