Analysis assistance device, method, and program for searching for an analysis condition for use with a liquid chromatography system
An analysis assistance device includes an estimator that estimates distribution of measurement quality index data using a plurality of analysis condition data to be provided to an analysis device and a plurality of measurement data obtained in the analysis device based on the plurality of analysis condition data, and a measurement quality index outputter that outputs for display a region where the measurement quality index data is not less than a predetermined threshold value as a design space, and the measurement quality index outputter outputs the region of the design space in an enlarged manner by cutting off at least part of a region other than the design space in a distribution region of the measurement quality index data.
1. An analysis assistance device for searching for an optimal analysis condition for use with a liquid chromatography system, the device comprising a processor configured to:
receive a plurality of analysis conditions, wherein each of the plurality of analysis conditions includes values for a plurality of analysis parameters;
obtain a measurement data set comprising measurement data from the liquid chromatography system for each of the plurality of analysis conditions;
calculate a measurement quality data set comprising measurement quality data for each of the measurement data of the obtained measurement data set;
estimate as distribution data a distribution of the calculated measurement quality data set relative to the plurality of analysis parameters; and
display as a design space a region of the distribution data where the measurement quality data is greater than or equal to a predetermined threshold value, wherein:
the design space includes a plurality of boundaries and the plurality of analysis parameters as axes, and
the design space is displayed such that when the design space includes a change in the measurement quality data that is larger than a change in the plurality of analysis parameters:
the region is enlarged as an enlargement region; and
the enlargement region is based on a spacing between each of boundaries, such that a small spacing between each of the boundaries compared to each spacing of an other area along a direction of an axis of the design space results in a large spacing in the enlargement region by cutting off at least part of the enlarged area in the design space of the measurement quality data.
2. The analysis assistance device according to claim 1 , wherein the processor is further configured to output a region of the distribution data where the measurement quality data has a high rate of change in an enlarged manner as compared to a region of the distribution data where the measurement quality data has a low rate of change.
3. The analysis assistance device according to claim 1 , wherein the measurement quality data includes resolution data of each component analyzed in the liquid chromatography system.
4. An analysis assistance method performed by a processor for searching for an optimal analysis condition for use with a liquid chromatography system, the method comprising:
receiving by the processor a plurality of analysis conditions, wherein each of the plurality of analysis conditions includes values for a plurality of analysis parameters;
obtaining by the processor a measurement data set comprising measurement data from the liquid chromatography system for each of the plurality of analysis conditions;
calculating with the processor a measurement quality data set comprising measurement quality data for each of the measurement data of the obtained measurement data set;
estimating with the processor as distribution data a distribution of the calculated measurement quality data set relative to the plurality of analysis parameters; and
display as a design space a region of the distribution data where the measurement quality index data is greater than or equal to a predetermined threshold value, wherein:
the design space includes a plurality of boundaries and the plurality of analysis parameters as axes, and
the design space is displayed such that when the design space includes a change in the measurement quality data that is larger than a change in the plurality of analysis parameters:
the region is enlarged as an enlargement region; and
the enlargement region is based on a spacing between each of boundaries, such that a small spacing between each of the boundaries compared to each spacing of an other area along a direction of an axis of the design space results in a large spacing in the enlargement region by cutting off at least part of the enlarged area in the design space of the measurement quality index data.
5. A non-transitory computer readable storage medium recording an analysis assistance program for searching for an optimal analysis condition for use with a liquid chromatography system that when executed by a processor causes the processor to:
receive a plurality of analysis conditions, wherein each of the plurality of analysis conditions includes values for a plurality of analysis parameters;
obtain a measurement data set comprising measurement data from the liquid chromatography system for each of the plurality of analysis conditions;
calculate a measurement quality data set comprising measurement quality data for each of the measurement data of the obtained measurement data set;
estimate as distribution data a distribution of the calculated measurement quality data set relative to the plurality of analysis parameters; and
display as a design space a region of the distribution data where the measurement quality data is greater than or equal to a predetermined threshold value, wherein:
the design space includes a plurality of boundaries and the plurality of analysis parameters as axes, and
the design space is displayed such that when the design space includes a change in the measurement quality data that is larger than a change in the plurality of analysis parameters:
the region is enlarged as an enlargement region; and
the enlargement region is based on a spacing between each of boundaries, such that a small spacing between each of the boundaries compared to each spacing of an other area along a direction of an axis of design space results in spacing in the enlargement region by cutting off at least part of the enlarged area in the design space of the measurement quality data.