Journal
METABOLOMICS
Volume 8, Issue 4, Pages 719-726Publisher
SPRINGER
DOI: 10.1007/s11306-011-0369-1
Keywords
metAlign; LC-MS; GC-MS; Multi-threading; Data processing; Metabolomics
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Funding
- Dutch Ministry of Agriculture, Nature and Food Quality, Strategic Research Funds RIKILT-WUR [1217269301]
- The Netherlands Toxicogenomics Centre (NTC) [05060510]
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A new, multi-threaded version of the GC-MS and LC-MS data processing software, metAlign, has been developed which is able to utilize multiple cores on one PC. This new version was tested using three different multi-core PCs with different operating systems. The performance of noise reduction, baseline correction and peak-picking was 8-19 fold faster compared to the previous version on a single core machine from 2008. The alignment was 5-10 fold faster. Factors influencing the performance enhancement are discussed. Our observations show that performance scales with the increase in processor core numbers we currently see in consumer PC hardware development.
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