adjustRT | Peak alignment |
assignation_neg_HMDB | HMDB metabolites in negative ionization |
assignation_pos_HMDB | HMDB metabolites in positive ionization |
bp_kfold_VIP_analysis | K-fold bootstrap and permutation over PLS-VIP |
bp_VIP_analysis | Bootstrap and permutation over PLS-VIP |
check_dataset | check_dataset |
clustering | Clustering |
cromplot | cromplot |
default_peakpicking_params | Default parameters for peak picking optimization |
do_findmain | Cluster annotation |
feature_reduction | Feature reduction |
feature_values | Feature table |
filterMassAcquisition | Filter a mass window |
find_peaks_cwp | Chromatographic peak detection (CentWave) |
getRamSt | Get st parameter value for clustering |
groupPeaks | Peak correspondence |
HMDB_db | The Human Metabolome DataBase template: Table with... |
install_RawConverter | Download and Install RawConverter |
IPO_group_peaks | Peak Correspondence |
is.negative | is.negative |
is.positive | is.positive |
known_metabolites | Known metabolites in the dataset |
lcms_convert_ipo_to_xcms | Converts IPO parameters to XCMS format |
lcms_data_analysis | Data analysis |
lcms_data_analysis_method | Create method for lcms data analysis |
lcms_dataset_load | Load lcms_datasets |
lcms_dataset_save | Save lcms_datasets |
lcms_default_retcorgroup_params | Default parameters for optimization of retention time... |
lcms_diagnose | Set/Get diagnostic information |
lcms_fill_chrom_peaks | Filling missing values in a peak table |
lcms_filter_mz | Filter by mass/charge |
lcms_filter_polarity | Filter an experiment by its polarity |
lcms_filter_rt_min | Filter by retention time |
lcms_filter_sample_type | Filter by sample type |
lcms_identify_metabolites | Metabolite search |
lcms_list_mzxml_samples | RAW converter |
lcms_meta_add | Add metadata |
lcms_meta_export | Export metadata |
lcms_meta_read | Read metadata |
lcms_peak_annotation | Peak Annotation |
lcms_peak_table_boxplots | Boxplots for the significant peak table features |
lcms_peak_table_pca | Principal Component Analysis (PCA) |
lcms_plot_chrom | Base peak chromatogram |
lcms_plot_chrom_peak_image | Image of Chromatographic Peaks by sample |
lcms_plot_metabolites | Metabolite Candidates |
lcms_plot_tics | Total Ion Count (TIC) plot |
lcms_raw_data | Raw data extractor from a MAIT object |
lcms_raw_to_mzxml | Raw to mzxml |
lcms_read_ipo_to_xcms | Read IPO parameters to XCMS format |
lcms_read_samples | Read mzXML samples |
lcms_rearrange_datafiles_by_class | Rearrange datafiles by class |
lcms_retcorgroup_optimization | Optimization of retention time correction and grouping... |
lcms_retention_time_alignment_plot | Retention Time Correction Plot |
lcms_sig_peaks_table | Significant feature information |
lcms_spectral_sig_features | Extract significant features from a MAIT object |
lcms_tics | Total Ion Count (TIC) |
lcms_to_mait | Convert xcms to MAIT |
lcms_write_opt_params | Displaying and Storing optimized settings |
lcms_write_parameter_table | Write parameter table |
models_stability_plot_bootstrap | Models stability plot |
models_stability_plot_plsda | Models stability plot |
obiAdjust_Rtime | Retention Time Correction |
PeakDensityPar | Peak density parameters |
PeakGroupsPar | Peak density parameters |
peakpicking_optimization | Peak picking optimization |
permutation_test_model | Permutation test |
permutation_test_plot | Permutation test plot |
phData | Generic function to access the phenotypic data (Biobase) |
plot_bootstrap_multimodel | Bootstrap plot predictions |
plot_plsda_multimodel | Multi PLDSA model plot predictions |
plot_plsda_samples | Plot PLSDA predictions |
plot_vip_scores | Plot vip scores of bootstrap |
plsda_auroc_vip_compare | Compare PLSDA auroc VIP results |
plsda_auroc_vip_method | Method for lcms_data_analysis (PLSDA model with AUROC and VIP... |
random_subsampling | Random subsampling |
reexports | Objects exported from other packages |
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