2016
DOI: 10.1021/acs.analchem.5b03506
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Use of Bayesian Statistics for Pairwise Comparison of Megavariate Data Sets: Extracting Meaningful Differences between GCxGC-MS Chromatograms Using Jensen–Shannon Divergence

Abstract: A new method for comparison of GCxGC-MS is proposed. The method is aimed at spotting the differences between two GCxGC-MS injections, in order to highlight the differences between two samples, in order to flag differences in composition, or to spot compounds only present in one of the samples. The method is based on application of the Jensen-Shannon divergence (JS) analysis combined with Bayesian hypothesis testing. In order to make the method robust against misalignment in both time dimensions, a moving-windo… Show more

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Cited by 14 publications
(16 citation statements)
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“…In addition to the measurement of TAG content and DU, SCRS can serve as a comprehensive ‘biochemical fingerprint’ of a cell (Butler et al ., 2016; He et al ., 2019; Huang et al ., 2004; Lorenz et al ., 2017). Jensen−Shannon distances (JSDs), which measure difference of frequency spectra (Barcaru and Vivo‐Truyols, 2016; Iwasaki et al ., 2017), can be used to measure the SCRS‐based phenotypic difference between two cells. As for the phenotype difference among strains, we proposed ‘strain‐ramanome’ to define the series of ramanomes for a certain strain at a set of time points or inducing conditions.…”
Section: Resultsmentioning
confidence: 99%
“…In addition to the measurement of TAG content and DU, SCRS can serve as a comprehensive ‘biochemical fingerprint’ of a cell (Butler et al ., 2016; He et al ., 2019; Huang et al ., 2004; Lorenz et al ., 2017). Jensen−Shannon distances (JSDs), which measure difference of frequency spectra (Barcaru and Vivo‐Truyols, 2016; Iwasaki et al ., 2017), can be used to measure the SCRS‐based phenotypic difference between two cells. As for the phenotype difference among strains, we proposed ‘strain‐ramanome’ to define the series of ramanomes for a certain strain at a set of time points or inducing conditions.…”
Section: Resultsmentioning
confidence: 99%
“…It is the opinion of the authors that the proposed method can be successfully applied in different fields. The only requirement is a reasonable resolution [102].…”
Section: Data Handlingmentioning
confidence: 99%
“…In addition to the TAG content and DU prediction, SCRS can also estimate the 'fingerprint' of a cell (86)(87)(88). Jensen-Shannon distances (JSD), which usually adapted for measuring the difference of frequency spectra (89,90), could be used to measure the phenotypic difference between pairwise cells based on its SCRS. Moreover, to compare the phenotype difference among strains, here, we proposed 'strain-Ramanome' to define a certain strain, which consists of ramanomes of one certain strain at multiple inducing conditions and timepoints.…”
Section: Phenotypes Of the Ler1 Deletion Mutantsmentioning
confidence: 99%