Man pages for hcji/KPIC2
Mass Spectrometry-Based Metabolomics Using Pure Ion Chromatograms
| analyst.OPLS | Analyst the peaks with PLS-DA or OPLS-DA |
| analyst.RF | Analyst the peaks with random forest |
| fillPeaks.EIBPC | identify missing peaks |
| getMS | get MS of a LC-MS data file. |
| getPeaks | Get peaks of the detected PICs. |
| getPIC | Extract PICs from a LC-MS raw object based on m/z difference. |
| getPIC.kmeans | Extract PICs from a LC-MS raw object based on optimal k-means... |
| getTICs | Get TICs of LC-MS data. |
| groupCombine | Combine tailed, isotopic or/and adduct features into the same... |
| LoadData | Load an LC-MS data file. |
| PICset | Process a set of sample with 'getPIC' method. |
| PICset.align | Align each group of PICs. |
| PICset.getPeaks | The 'getPeaks' function for a set of samples. |
| PICset.group | group the features |
| PICset.kmeans | Process a set of sample with 'getPIC.kmeans' method. |
| PICset.split | The 'PICsplit' function for a set of samples. |
| PICsplit | Spliting multiple-peak trace into single ones |
| viewAlign | View the result of alignment. |
| viewGroups | View the result of group. |
| viewMS | View MS. |
| viewPICs | View the PICs. |
| viewTICs | View TICs |
| WMPD | Reslove overlapped peak based on mass spectrometry. |
