Journal: Journal of chromatography. A

Article Title: Automating Data Analysis for Two-Dimensional Gas Chromatography/Time-of-Flight Mass Spectrometry Non-Targeted Analysis of Comparative Samples

doi: 10.1016/j.chroma.2018.02.016

Figure Lengend Snippet: The manual workflow used to select candidate analytes from a given GC×GC/ToF-MS data output analysis from the LECO® ChromaTOF® software’s Statistical Compare feature. This process can take several hours per sample, depending on the complexity of the sample.

Article Snippet: Using datasets from the soil extracts pre- and post-bioremediation, OCTpy selected, on average, 18% of the initial suggested analytes generated by the LECO ® ChromaTOF ® software Statistical Compare feature.

Techniques:

Journal: Journal of chromatography. A

Article Title: Automating Data Analysis for Two-Dimensional Gas Chromatography/Time-of-Flight Mass Spectrometry Non-Targeted Analysis of Comparative Samples

doi: 10.1016/j.chroma.2018.02.016

Figure Lengend Snippet: The automated workflow used to select candidate analytes from a given GC×GC/ToF-MS data output analysis from the LECO® ChromaTOF® software’s Statistical Compare feature. This process only take several minutes per sample, depending on the complexity of the sample.

Article Snippet: Using datasets from the soil extracts pre- and post-bioremediation, OCTpy selected, on average, 18% of the initial suggested analytes generated by the LECO ® ChromaTOF ® software Statistical Compare feature.

Techniques:

Journal: Journal of chromatography. A

Article Title: Automating Data Analysis for Two-Dimensional Gas Chromatography/Time-of-Flight Mass Spectrometry Non-Targeted Analysis of Comparative Samples

doi: 10.1016/j.chroma.2018.02.016

Figure Lengend Snippet: Manuals vs. Automated Result Comparisons Comparisons of candidate analytes selected by either manual analysis or OCTpy from the the LECO ® ChromaTOF ® software’s Statistical Compare (SC) feature list. Percent match between manual analysis and OCTpy was calculated based on the percent of the ratio between the number of candidate analytes that were selected in both OCTpy and manual analysis. For example, in fraction D, although OCTpy selected 20 candidate analytes, the 7 candidate analytes selected from manual analysis were also included in the OCTpy candidate analytes list, which resulted in 100% match.

Article Snippet: Using datasets from the soil extracts pre- and post-bioremediation, OCTpy selected, on average, 18% of the initial suggested analytes generated by the LECO ® ChromaTOF ® software Statistical Compare feature.

Techniques: Software