readBrukerFlexData: tof2mass – R documentation

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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]

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 http://www.ncbi.nlm.nih.gov/pubmed/16953879

readBrukerFlexData

Reads Mass Spectrometry Data in Bruker *flex Format

v1.8.5

GPL (>= 3)

Authors

Sebastian Gibb [aut, cre]

Initial release

2017-04-22