Patent ID: 7979258
Filing Date: 2011-07-12
Classification: G01N,H01J

Abstract:
1. A method for providing a recalibrated mass spectrum of a sample including a plurality of macromolecules, said method comprising: obtaining a mass spectrum of said plurality of macromolecules from a mass spectrometer, said mass spectrum containing a plurality of peaks each of said plurality of peaks corresponding to a mass-to-charge ratio; selecting a plurality of predetermined molecules appropriate to said sample by a computer processor operating a particularly configured computer program; creating a data set comprising a subset of said plurality of peaks by a computer processor operating a particularly configured computer program, wherein each peak of said subset of said plurality of peaks is assigned to one or more of said plurality of predetermined molecules; applying a robust statistical method to said data set to calculate at least one transformation parameter by a computer processor operating a particularly configured computer program, the robust statistical method involving the statistical method distinguishing correct estimates from incorrect estimates of data points wherein changing a single data point by an arbitrary amount does not change the result of an associated equation or calculation by an arbitrary amount resulting in tolerance of a large number of incorrect data points; transforming, by self-calibration, said obtained mass spectrum by using said at least one transformation parameter to provide said recalibrated mass spectrum by a computer processor operating a particularly configured computer program; displaying or storing said recalibrated mass spectrum on an output device.