Man pages for speaq
Tools for Nuclear Magnetic Resonance (NMR) Spectra Alignment, Peak Based Processing, Quantitative Analysis and Visualizations
| AddPlottingStuff | Add plotting variables |
| BuildFeatureMatrix | Build a Feature matrix from the with speaq 2.0 processed data |
| BuildRawDataMatrix | Build a raw data matrix (spectra) from spectra of unequal... |
| BWR | BW ratio calculation |
| createNullSampling | Building a null hypothesis data |
| detectSpecPeaks | Peak detection for spectra |
| dohCluster | CluPA function for multiple spectra. |
| dohClusterCustommedSegments | Use CluPA for alignment with additional information |
| doShift | Segment shift |
| drawBW | BW and percentile ratios plot |
| drawSpec | Spectral plot |
| drawSpecPPM | Plot NMR spectra from a spectra data matrix |
| findRef | Reference finding |
| findSegPeakList | Selecting the peaks in a segment |
| findShiftStepFFT | Finding the shift-step by using Fast Fourier Transform cross-... |
| getWaveletPeaks | Convert raw NMR spectra to peak data by using wavelets |
| GetWinedata.subset | Get subset of Winedata for code examples |
| hClustAlign | CluPA function for two spectra. |
| hclust.grouping | Grouping with hierarchical clustering (used in the... |
| HMDBsearchR | Submit 1H NMR peaks to HMDB for compound search |
| makeSimulatedData | Create a simulated NMR spectral data |
| PeakFilling | Peak filling of any missed peaks |
| PeakGrouper | Peak grouping with hierarchical clustering |
| regroupR | Regroup faulty grouped peaks |
| relevant.features.p | Identify features (columns in the datamatrix) which are... |
| returnLocalMaxima | Local maximum detection |
| ROIplot | Plot NMR spectra, together with raw and grouped peaks |
| SCANT | SCAle, Normalize and Transform a data matrix |
| SilhouetR | SilhouetR |
| Winedata | Wine dataset |
