US 11,747,343 B2
Method for evaluating data from mass spectrometry, mass spectrometry method, and MALDI-TOF mass spectrometer
Tobias Boskamp, Worpswede (DE)
Filed by Bruker Daltonics GmbH & Co. KG, Bremen (DE)
Filed on Sep. 10, 2021, as Appl. No. 17/471,473.
Application 17/471,473 is a division of application No. 16/342,088, granted, now 11,221,338, previously published as PCT/EP2017/001131, filed on Sep. 22, 2017.
Claims priority of application No. 102016012302.8 (DE), filed on Oct. 17, 2016.
Prior Publication US 2021/0405062 A1, Dec. 30, 2021
Int. Cl. G01N 33/68 (2006.01); G16B 40/10 (2019.01); H01J 49/00 (2006.01)
CPC G01N 33/6848 (2013.01) [G16B 40/10 (2019.02); H01J 49/0009 (2013.01); H01J 49/0036 (2013.01)] 17 Claims
OG exemplary drawing
 
1. Method for evaluating mass spectrometry data for the analysis of peptides from biological samples, the method comprising:
a) providing expected mass defects;
b) determining measured mass defects resulting from the mass spectrometry data;
c) determining discrepancies between the measured mass defects and the expected mass defects;
d) determining an actual variance of the discrepancies about a mean thereof; and
e) comparing the actual variance with a defined acceptable variance, an interval of which is formed by limit values
dp1,2(m)=±μ√v(m)
where

OG Complex Work Unit Math
and σP(mN)=σ0+sP mN, where σ0≈0.02 and sP≈2.0×10−5,
and Δm(m) designates a width of m/z bins at a mass position m,
and m/z bins represent intervals resulting from a discretization of the mass axis,
and μ>0 provides a scaling factor,
and wherein discrepancies data are rejected as defective when the actual variance of the mass defect discrepancies is outside the interval thus specified.