tof2mass: Calculates mass from time-of-flight values.

In sgibb/readBrukerFlexData: Reads Mass Spectrometry Data in Bruker *flex Format

Calculates mass from time-of-flight values.

Description

This function calculates mass from time of flight values based on the following article: Titulaer, M. K. and Siccama, I. and Dekker, J. L. and van Rijswijk, A. L. and Heeren R. M. and Sillevis Smitt, P. A. and Luider, T. M. (2006)
“A database application for pre-processing, storage and comparison of mass spectra derived from patients and controls”, BMC Bioinformatics, 7: 403 https://pubmed.ncbi.nlm.nih.gov/16953879/

Usage

.tof2mass(tof, c1, c2, c3)

Arguments

tof	double, vector with times-of-flight
c1	metaData$calibrationConstants[1]
c2	metaData$calibrationConstants[2]
c3	metaData$calibrationConstants[3]

Details

Arguments are imported from metadata (acqu-file).

Value

double, calculated mass

References

Titulaer, M. K. and Siccama, I. and Dekker, J. L. and van Rijswijk, A. L. and Heeren R. M. and Sillevis Smitt, P. A. and Luider, T. M. (2006)
“A database application for pre-processing, storage and comparison of mass spectra derived from patients and controls”, BMC Bioinformatics, 7: 403 https://pubmed.ncbi.nlm.nih.gov/16953879/

sgibb/readBrukerFlexData documentation built on Jan. 26, 2024, 10:08 a.m.