2019
DOI: 10.1002/jbio.201960112
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Extended multiplicative signal correction for FTIR spectral quality test and pre‐processing of infrared imaging data

Abstract: Spectral quality control is an important step in the analysis of infrared spectral data, however, often neglected in scientific literature. A frequently used quality test that was originally developed for infrared spectra of bacteria is provided by OPUS software from Bruker Optik GmbH. In this study, the OPUS quality test is applied to a large number of spectra of bacteria, yeasts and moulds and hyperspectral images of microorganisms. It is shown that the use of strict thresholds for parameters of the OPUS qua… Show more

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Cited by 23 publications
(24 citation statements)
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“…When the protein region was used for the analysis, one spectral replicate for the isolate Leifsonia rubra G.S.16 cultivated on BHI agar appeared to be significantly different from other replicates and could be considered an outlier. This can be due to the errors happening during the preprocessing (Kohler et al, 2005; Tafintseva et al, 2020). After this outlier was removed from the dataset, the PCA scatterplot of the protein region did not show any significant change in the sample distribution; therefore, we showed a scatter plot of the protein region without the outlier being removed (Figure 4c and Figure A5C).…”
Section: Resultsmentioning
confidence: 99%
“…When the protein region was used for the analysis, one spectral replicate for the isolate Leifsonia rubra G.S.16 cultivated on BHI agar appeared to be significantly different from other replicates and could be considered an outlier. This can be due to the errors happening during the preprocessing (Kohler et al, 2005; Tafintseva et al, 2020). After this outlier was removed from the dataset, the PCA scatterplot of the protein region did not show any significant change in the sample distribution; therefore, we showed a scatter plot of the protein region without the outlier being removed (Figure 4c and Figure A5C).…”
Section: Resultsmentioning
confidence: 99%
“…This difference should for the large majority of the pixels in the image be very small, since the chemical signals in the spectra mostly does not vary much between neighboring pixels. We calculate this difference for all pixels of the image after removing empty pixels with EMSC b‐parameter quality test [34] and use the median value within images of the samples as a measure of noise. We found the median difference to be about 0.003 for the DSAE corrected spectra and 0.013 for the ME‐EMSC corrected spectra.…”
Section: Resultsmentioning
confidence: 99%
“…The dashed red vertical line shows the absorbance of HTS reference spectra at the peak in question. Background spectra have been filtered out beforehand with the EMSC b‐parameter quality test [34]…”
Section: Resultsmentioning
confidence: 99%
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