.tof2mass: 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
http://www.ncbi.nlm.nih.gov/pubmed/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]
Value
double, calculated mass
Details
Arguments are imported from metadata (acqu-file).
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
http://www.ncbi.nlm.nih.gov/pubmed/16953879