SIMA – Simultaneous Multiple Alignment of LC/MS Peak Lists

SIMA

:: DESCRIPTION

SIMA is a novel automated procedure for alignment of peak lists from multiple LC/MS runs. SIMA combines hierarchical pairwise correspondence estimation with simultaneous alignment and global retention time correction. It employs a tailored multidimensional kernel function and a procedure based on maximum likelihood estimation to find the retention time distortion function that best fits the observed data.

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::DEVELOPER

Hamprecht lab

:: SCREENSHOTS

N/A

:: REQUIREMENTS

  • Linux / Windows
  • C++ Compiler

:: DOWNLOAD

  SIMA

:: MORE INFORMATION

Citation

Bioinformatics. 2011 Apr 1;27(7):987-93. doi: 10.1093/bioinformatics/btr051. Epub 2011 Feb 3.
SIMA: simultaneous multiple alignment of LC/MS peak lists.
Voss B1, Hanselmann M, Renard BY, Lindner MS, K?the U, Kirchner M, Hamprecht FA.