Abstract
| Original language | English |
|---|---|
| Pages (from-to) | 634-636 |
| Journal | Bioinformatics |
| Volume | 22 |
| Issue number | 5 |
| DOIs | |
| Publication status | Published - 2006 |
| MoE publication type | A1 Journal article-refereed |
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Keywords
- molecular modelling
- molecular structure
- mass spectrometry
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MZmine : Toolbox for processing and visualization of mass spectrometry based molecular profile data. / Katajamaa, Mikko; Miettinen, Jarkko; Orešič, Matej (Corresponding Author).
In: Bioinformatics, Vol. 22, No. 5, 2006, p. 634-636.Research output: Contribution to journal › Article › Scientific › peer-review
TY - JOUR
T1 - MZmine
T2 - Toolbox for processing and visualization of mass spectrometry based molecular profile data
AU - Katajamaa, Mikko
AU - Miettinen, Jarkko
AU - Orešič, Matej
PY - 2006
Y1 - 2006
N2 - New additional methods are presented for processing and visualizing mass spectrometry based molecular profile data, implemented as part of the recently introduced MZmine software. They include new features and extensions such as support for mzXML data format, capability to perform batch processing for large number of files, support for parallel processing, new methods for calculating peak areas using post-alignment peak picking algorithm and implementation of Sammon's mapping and curvilinear distance analysis for data visualization and exploratory analysis.
AB - New additional methods are presented for processing and visualizing mass spectrometry based molecular profile data, implemented as part of the recently introduced MZmine software. They include new features and extensions such as support for mzXML data format, capability to perform batch processing for large number of files, support for parallel processing, new methods for calculating peak areas using post-alignment peak picking algorithm and implementation of Sammon's mapping and curvilinear distance analysis for data visualization and exploratory analysis.
KW - molecular modelling
KW - molecular structure
KW - mass spectrometry
U2 - 10.1093/bioinformatics/btk039
DO - 10.1093/bioinformatics/btk039
M3 - Article
VL - 22
SP - 634
EP - 636
JO - Bioinformatics
JF - Bioinformatics
SN - 1367-4803
IS - 5
ER -