Method of Improving the Resolution of Compounds Eluted from a Chromatography Device
First Claim
1. A method of improving the resolution of compounds eluted from a chromatography device comprising:
- (a) measuring spectroscopic data from an effluent eluted from a chromatography device as a function of elution time, the effluent containing eluted compounds;
(b) identifying at least some peaks in intensity as a function of time in at least some of the measured spectroscopic data to form a first set of identified peaks;
(c) discarding from the first set of identified peaks those peaks that are not due to an eluted compound thereby forming a second set of peaks from those retained;
(d) transforming each peak in the second set of peaks into a first model peak centered on the elution time of each peak in the second set of peaks;
(e) adding together some or all the model peaks created in step (d) to create a new chromatogram;
(f) identifying at least some peaks in intensity in the new chromatogram;
(g) grouping together all identified peaks in intensity in the second set of peaks having elution times within a given time period of identified peaks in intensity in the new chromatogram and assigning them to a single eluted compound thereby forming a processed data set.
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Abstract
A method of and apparatus for improving the resolution of compounds eluted from a separation device are disclosed, particularly suited for use in the fields of gas or liquid chromatography. Embodiments of the invention provide that spectroscopic data are measured from an effluent eluted from a chromatography device as a function of elution time; peaks in intensity are identified to form a first set of identified peaks; peaks not due to an eluting compound are discarded from the first set of identified peaks thereby forming a second set of identified peaks from those retained; each peak in the second set of peaks is transformed into a first model peak centered on the elution time of each peak in the second set of peaks; some or all the model peaks created are added together to create a new chromatogram; and all identified peaks in intensity in the second set of peaks having elution times within a given time period of identified peaks in intensity in the new chromatogram are grouped together and assigned to a single eluted compound thereby forming a processed data set.
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Citations
19 Claims
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1. A method of improving the resolution of compounds eluted from a chromatography device comprising:
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(a) measuring spectroscopic data from an effluent eluted from a chromatography device as a function of elution time, the effluent containing eluted compounds; (b) identifying at least some peaks in intensity as a function of time in at least some of the measured spectroscopic data to form a first set of identified peaks; (c) discarding from the first set of identified peaks those peaks that are not due to an eluted compound thereby forming a second set of peaks from those retained; (d) transforming each peak in the second set of peaks into a first model peak centered on the elution time of each peak in the second set of peaks; (e) adding together some or all the model peaks created in step (d) to create a new chromatogram; (f) identifying at least some peaks in intensity in the new chromatogram; (g) grouping together all identified peaks in intensity in the second set of peaks having elution times within a given time period of identified peaks in intensity in the new chromatogram and assigning them to a single eluted compound thereby forming a processed data set. - View Dependent Claims (2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 12, 13, 14, 15, 16, 17)
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18. A tangible computer readable medium encoding instructions for carrying out a method of transforming measured spectroscopic data to improve resolution, the spectroscopic data representing an effluent eluted from a chromatography device as a function of elution time, the effluent containing eluted compounds, the method comprising steps of:
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(a) identifying at least some peaks in intensity as a function of time in at least some of the measured spectroscopic data to form a first set of identified peaks; (b) discarding from the first set of identified peaks those peaks that are not due to an eluted compound thereby forming a second set of peaks from those retained; (c) transforming each peak in the second set of peaks into a first model peak centered on the elution time of each peak in the second set of peaks; (d) adding together some or all the model peaks created in step (c) to create a new chromatogram; (e) identifying at least some peaks in intensity in the new chromatogram; (f) grouping together all identified peaks in intensity in the second set of peaks having elution times within a given time period of identified peaks in intensity in the new chromatogram and assigning them to a single eluted compound thereby forming a processed data set.
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19. Apparatus for improving the resolution of compounds eluted from a chromatography device, comprising:
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(a) a device for measuring spectroscopic data from an effluent eluted from a chromatography device as a function of elution time, the effluent containing eluted compounds; (b) a module for identifying at least some peaks in intensity as a function of time in at least some of the measured spectroscopic data to form a first set of identified peaks; (c) a module for discarding from the first set of identified peaks those peaks that are not due to an eluted compound thereby forming a second set of peaks from those retained; (d) a module for transforming each peak in the second set of peaks into a first model peak centered on the elution time of each peak in the second set of peaks; (e) a module for adding together some or all the model peaks created in step (d) to create a new chromatogram; (f) a module for identifying at least some peaks in intensity in the new chromatogram; and (g) a module for grouping together all identified peaks in intensity in the new chromatogram having elution times within a given time period and assigning them to a single eluted compound thereby forming a processed data set.
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Specification