LDA - RASpicer/MetabolomicsTools GitHub Wiki

LDA

Version: 1.6.2

Website

http://genome.tugraz.at/lda/lda_description.shtml

Description

Lipid Data Analyser (LDA) peak picks LC-MS lipidomics data by a novel algorithm designed for accurate quantification. Firstly a chromatograph is extracted and the time-point at peak summit is identified. Next a m/z range is extracted around this narrow time point. The peak summit is then redetermined and the border points of the profile peaks are detected and an ellipse fitted. It uses theoretical isotope distribution as an exclusion criteria. There is no deisotopic step. Three standardisation methods are available: based on a single standard, a median method and internally developed methodology (standardisation by most robust standards).

Functionality

  • Preprocessing

Instrument Data Type

  • MS/LC-MS

Approaches

  • Lipidomics

Computer Skills

Medium

Software Type

Package

Interface

Graphical user interface

Operating System (OS)

  • Unix/Linux
  • Mac OS
  • Windows

Language

Java

Dependencies

N/A

Input Formats - Open

mzXML

Input Formats - Proprietary

Thermo Fisher Scientific .raw, waters .raw

Published

2010

Last Updated

2013

License

Academic users only

Paper

http://www.ncbi.nlm.nih.gov/pubmed/21169379

PMID

21169379