.tof2mass {readBrukerFlexData} | R Documentation |
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 |
|
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/