Fast and very memory-efficient calculation of isotope patterns,
subsequent convolution to theoretical envelopes (profiles) plus valley
detection and centroidization or intensoid calculation. Batch processing,
resolution interpolation, wrapper, adduct calculations and molecular
formula parsing.
Loos, M., Gerber, C., Corona, F., Hollender, J., Singer, H. (2015)
<doi:10.1021/acs.analchem.5b00941>.

Isotope Pattern, Profile and Centroid Calculation for Mass
Spectrometry

package-ubuntu-20.04-r-4.0.5#cran#enviPat-2.4

<p>Vector with character strings of exemplary chemical formulas (pesticides, pharmaceuticals)
</p>

package-ubuntu-20.04-r-4.0.5#cran#enviPat-2.4#docs#chemforms

chemforms

Description

Usage

Format

Examples

enviPat

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