AUTOCALIBRATION OF MASS SPECTRUM USING ROBUST STATISTICAL METHOD

摘要

PPROBLEM TO BE SOLVED: To provide a new and improved calibration method of mass spectra, related system, and media. PSOLUTION: This method involves evaluation of the calibration parameters, by using, for instance, difference in mass and complementary pair. First in the method 100, the sequence or the method begins in step 110. Input mass spectrum, including a peak set, is acquired in step 120. Predetermined molecule suitable for sampling is selected in step 130. In step 140, a data set, containing subset of the peak set, is generated from the input mass spectrum. Then a robust statistical method is applied to this data set in step 150 to compute one or more conversion parameters, and one or a plurality of conversion parameters are calculated. In step 160, this computed one or more conversion parameters are used to convert mass spectrum, providing already recalibrated mass spectrum. This sequence described is ended or repeated, at finishing time by an operator in step 170. PCOPYRIGHT: (C)2006,JPO&NCIPI