METHOD AND SYSTEM FOR FILTERING GAS CHROMATOGRAPHY-MASS SPECTROMETRY DATA

摘要

This invention relates to a system for and a method of filtering at least a part of gas chromatography-mass spectrometry data, the method comprising: providing gas chromatography-mass spectrometry data (301) for a gas mixture comprising data representing one or more gas chromatography elution peaks obtained for at least one sample, and filtering the gas chromatography-mass spectrometry data (301) to reduce the amount of data, wherein the filtering comprises taking into account predetermined data representing one or more elution peaks previously determined to be false positives (305) and/or predetermined data representing one or elution peaks previously determined to be true positives (304). In this way, unreliable elution peaks are removed in an expedient manner reducing the amount of data e.g. used for a later alignment process speeding up the processing time and also improving the data quality.

主权项

1. A method of filtering at least a part of gas chromatography-mass spectrometry data, the method comprising:
providing gas chromatography-mass spectrometry data for a gas mixture comprising data representing one or more gas chromatography elution peaks obtained for at least one sample, filtering the gas chromatography-mass spectrometry data to reduce the amount of data, wherein the filtering comprises taking into account predetermined data representing one or more elution peaks previously determined to be false positives and/or predetermined data representing one or elution peaks previously determined to be true positives, displaying on a display, a representation of a decision line or plane, the decision line or plane illustrating a linear or non-linear boundary of the gas chromatography-mass spectrometry data between what is kept and what is removed after filtering, and registering a selection made by a user of a filtering method and presenting to the user the decision line or plane associated with the selected filtering method.