Method of matching retention times among multiple chromatographic system
First Claim
1. A process for correcting a time axis of local chromatographic data to match reference chromatographic data while maintaining peak areas, comprising:
- obtaining reference calibration data from a reference chromatographic system;
obtaining local calibration data from a local chromatographic system;
generating local system correction functions based on an appropriate mathematical relationship using the reference calibration and the local calibration data; and
applying the local system correction functions to local chromatographic data to generate corrected local chromatographic data, wherein the corrected local chromatographic data match with the reference calibration data on time axis and wherein peak areas in the local chromatographic data are maintained in the corrected local chromatographic data.
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Abstract
A data manipulation method to make local chromatography data more usable and comparable to a reference. The method provides time axis correction to better match local data to a reference of the same time scale, time axis transformation to correspond more directly to a reference based on a different time scale, and response axis correction to better match a reference of the same or different response scale, while maintaining the original peak areas. The method may be used along or concurrently with other data manipulation technique to facilitate operations such as searching, matching, visual comparison, mathematical manipulation, and pattern recognition of chromatographic data.
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Citations
28 Claims
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1. A process for correcting a time axis of local chromatographic data to match reference chromatographic data while maintaining peak areas, comprising:
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obtaining reference calibration data from a reference chromatographic system;
obtaining local calibration data from a local chromatographic system;
generating local system correction functions based on an appropriate mathematical relationship using the reference calibration and the local calibration data; and
applying the local system correction functions to local chromatographic data to generate corrected local chromatographic data, wherein the corrected local chromatographic data match with the reference calibration data on time axis and wherein peak areas in the local chromatographic data are maintained in the corrected local chromatographic data. - View Dependent Claims (2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17, 22, 23)
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18. A process for correcting local chromatographic data with a reference retention time database, comprising:
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providing a reference retention time database;
running a calibration mix on the local system to generate local calibration data;
constructing local system correction functions to minimize differences between the local calibration data and corresponding retention time values in the reference retention time database for the calibration mix;
applying the local system correction functions to adjust local chromatographic data; and
using adjusted local chromatographic data to search the reference retention time database to obtain more accurate search results. - View Dependent Claims (19, 20)
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21. A process for correcting local chromatographic data by generating a local retention time database from a reference retention time database, comprising:
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providing a reference retention time database;
locking a local system to the reference retention time database using an instrumental method;
running a calibration mix on the local system to generate local calibration data;
constructing local system correction functions to minimize differences between the local calibration data and corresponding retention time values in the reference retention time database for the calibration mix;
applying the local system correction functions to adjust the reference retention time database values to generate a local retention time database; and
searching the local retention time database using local chromatographic data.
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24. A process for correcting a time axis of local chromatographic data to match reference chromatographic data while maintaining peak areas, comprising:
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obtaining reference calibration data having a first and a last peak from a reference chromatographic system;
obtaining local calibration data having a first and a last peak from a local chromatographic system;
determining an time-axis simple linear function, x′
=m×
+b, that makes retention times of the first and last peak of the local calibration data match retention times of the first and last peak of the reference calibration data;
applying the time-axis simple linear function to the local calibration data to create a time-axis transformed local calibration data;
dividing a y value of each time point in the time-axis transformed local calibration data by m to produce transformed local calibration data with corrected local peak areas;
generating local system correction functions based on an appropriate mathematical relationship using the reference calibration and the transformed local calibration data;
obtaining local chromatographic data, applying the time-axis simple linear function to local chromatographic data to create a time-axis transformed local chromatographic data;
dividing a y value of each time point in the time-axis transformed local chromatographic data by m to produce transformed local chromatographic data with corrected local peak areas; and
applying the local system correction functions to the transformed local chromatographic data to generate corrected local chromatographic data, wherein the corrected local chromatographic data match with the reference calibration data on time axis and wherein peak areas in the local chromatographic data are maintained in the corrected local chromatographic data.
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25. An chromatographic apparatus for analyzing samples, comprising:
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means for producing local chromatographic data; and
means for generating corrected local chromatographic data that match with reference chromatographic data on a time axis while maintaining peak areas of the local chromatographic data, comprising;
means for creating local system correction functions based on an appropriate mathematical relationship using reference calibration data and local calibration data; and
means for applying the local system correction functions to local chromatographic data. - View Dependent Claims (26, 27, 28)
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Specification