ctof2calibration: Cubic calibration

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

Cubic calibration

Description

Only basic support (not 100% identical results) for Bruker Daltonics' cubic calibration (encoded in '"##$NTBCal"' as '"V1.0CTOF2CalibrationConstants"'). This is an internal function and should normally not used by the user.

Usage

.ctof2calibration(tof, d)

Arguments

tof	double, time of flight.
d	double, calibration constants, return value of .extractV10CTOF2CalibrationConstants.

Value

double, mz values.

Note

Bruker Daltonics doesn't explain how the cubic calibration works. All formula are results of “trial and error”. That is why mass calculated by .ctof2calibration differs little from original mass. See also https://github.com/sgibb/readBrukerFlexData/issues/3.

Author(s)

Alan Race, Samuel Granjeaud, Sebastian Gibb

See Also

https://github.com/sgibb/readBrukerFlexData/issues/3

readBrukerFlexData documentation built on Oct. 3, 2024, 1:06 a.m.