ms

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Published: Dec 2, 2015 License: Apache-2.0 Imports: 0 Imported by: 2

README

#ms: A Go library to deal with Mass Spectrometry data.

Includes the unthermo library that can read Thermo Finnigan RAW files without external API's, a successor to unfinnigan.

Usable tools:

Documentation

Overview

Package ms is a library for mass spectrometry data

Index

Constants

This section is empty.

Variables

This section is empty.

Functions

This section is empty.

Types

type Analyzer

type Analyzer int

Analyzer is the mass analyzer

const (
	ITMS Analyzer = iota
	TQMS
	SQMS
	TOFMS
	FTMS
	Sector
	Undefined
)

The analyzer types are documented in literature

type Peak

type Peak struct {
	Mz float64
	I  float32
}

Peak represents an ion peak

type Scan

type Scan struct {
	Analyzer Analyzer
	MSLevel  uint8
	//Spectrum is a function forcing the read of a spectrum,
	//which is "delayed" for efficiency reasons. If it was not delayed
	//and Spectrum were a data structure, it would always have to
	//be read, which is very expensive. Now if only another property of
	//Scan (cheaper to obtain) is requested, resources are saved.
	Spectrum func(centroided ...bool) Spectrum
	//PrecursorMzs is only filled with mz values at MSx scans.
	PrecursorMzs []float64
	Time         float64
}

Scan represents the peak acquisition event of the mass spectrometer

type Spectrum

type Spectrum []Peak

A Spectrum is a collection of peaks

func (Spectrum) Len

func (a Spectrum) Len() int

func (Spectrum) Less

func (a Spectrum) Less(i, j int) bool

func (Spectrum) Swap

func (a Spectrum) Swap(i, j int)

Directories

Path Synopsis
Package unthermo is a library that can read Thermo RAW files.
Package unthermo is a library that can read Thermo RAW files.
tools
A set of tools using the unthermo library The labelq tool inserts iTRAQ reporter ions from HCD scans in CID spectra.
A set of tools using the unthermo library The labelq tool inserts iTRAQ reporter ions from HCD scans in CID spectra.

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