Tof2Mass: Converts from sample index to mass/charge.

In pasturm/TofDaqR: R Interface to the TOFWERK TofDaq API

Converts from sample index to mass/charge.

Description

Tof2Mass converts from sample index to mass/charge.

Usage

Tof2Mass(tofSample, massCalibMode, p)

Arguments

tofSample	Vector of sample indices to convert.
massCalibMode	Mass calibration function to use. See below.
p	Vector containing the calibration parameters (number depends on MassCalibMode, see below).

Details

massCalibMode	Mass calibration function
0	i = p_1 \sqrt(m) + p_2
1	i = p_1/\sqrt(m) + p_2
2	i = p_1 m^{p_3} + p_2
3	i = p_1 \sqrt(m) + p_2 + p_3 (m - p_4)^2
4	i = p_1 \sqrt(m) + p_2 + p_3 m^2 + p_4 m + p_5
5	m = p_1 i^2 + p_2 i + p_3

Note: Modes 3 and 4 are flawed. Don't use them. In mode 3 the fit does not converge well, because of a bug (parameters not correctly initialized). Mode 4 is two sequential fits, first mode 0, then a quadratic fit to the residuals, which is an inferior implementation of mode 3. Mode 1 is for FTMS data.

Value

Mass/charge values.

See Also

Mass2Tof

Examples

Tof2Mass(100000, massCalibMode = 0, p = c(3,5))

pasturm/TofDaqR documentation built on March 29, 2024, 12:10 a.m.