Mass2Tof: Converts from mass/charge to sample index.

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

Converts from mass/charge to sample index.

Description

Mass2Tof converts from mass/charge to sample index.

Usage

Mass2Tof(mass, massCalibMode, p)

Arguments

mass	Vector of mass/charge values 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

Sample indices.

See Also

Tof2Mass

Examples

Mass2Tof(100, massCalibMode = 0, p = c(3,5))

pasturm/TofDaqR documentation built on July 20, 2024, 9:44 a.m.