Assign_Mass: Annotate ESI-MS spectra

In ManuelPerisDiaz/CysMpro: Mass Spectrometry-Based Structural Analysis of Metalloproteins

Description

Annotate ESI-MS spectra

Usage

Assign_Mass(
  Scored,
  sequence,
  Metal,
  mono = FALSE,
  NbindingMetal = 7,
  Maxcharge = 6,
  Adduct = NULL,
  mzw = 1,
  write = FALSE,
  dir = getwd()
)

Arguments

Scored	Scored ESI-MS spectra
sequence	Protein sequence.
Metal	Metal ion to include in the calculation of the MS library.
mono	If TRUE, monoisotopic mass is used.
NbindingMetal	Number of expected metal ions binding to the protein. Default to 7.
Maxcharge	Maximum charge expected for adduct considered. Default to 6.
Adduct	Adduct for library generation.
mzw	Mass error window
write	If TRUE, reports the results in csv file
dir	Directory where to save the results

Value

Annotate ESI-MS spectra

ManuelPerisDiaz/CysMpro documentation built on Oct. 18, 2020, 6:44 a.m.