Files in specmine
Metabolomics and Spectral Data Analysis and Mining
MD5
NEWS.md
NAMESPACE
DESCRIPTION
R/sysdata.rda
R/peaklists.R
R/ICA.R
R/PATHWAY_ANALYSIS.R
R/structure.R
R/read.spc.modifed.R
R/DBSCAN_HDBSCAN.R
R/get_metabolights_study.R
R/mzmatch_metabolite_identification.R
R/preprocessing.R
R/MAIT_metabolite_identification.R
R/filter_dataset.R
R/univariate.R
R/init.R
R/reading_data.R
R/machinelearning.R
R/NMR_metabolite_identification.R
R/read_spc.R
R/spectra_options.R
R/clustering.R
R/regression.R
R/read_dx.R
R/normalization.R
R/convert_chemospec.R
R/missing_values.R
R/specmine-package.R
R/stats.R
R/umap.R
R/cluster_quality.R
R/graphics.R
R/ms_functions.R
R/nmr_id_utils.R
R/peak_alignment.R
R/filters_flat.R
R/data_integration.R
R/globals.R
R/read_NMR_spectra.R
R/t-sne.R
R/pca.R
R/GMM.R
R/compare_embeddings.R
R/utils.R
R/feature_selection.R
inst/read_varian_spec_raw.py
inst/read_varian_2dspec_raw.py
inst/doc/dataset_2d_analysis.html
inst/doc/dataset_2d_analysis.R
inst/doc/dataset_2d_analysis.Rmd
build/vignette.rds
vignettes/dataset_2d_analysis.Rmd
data/spectra_options.rda
man/remove_x_values_by_interval.Rd
man/get_MetabolitePath.Rd
man/remove_samples_by_nas.Rd
man/count_missing_values.Rd
man/read_dataset_dx.Rd
man/pca_analysis_dataset.Rd
man/impute_nas_knn.Rd
man/impute_nas_value.Rd
man/count_missing_values_per_variable.Rd
man/get_x_values_as_text.Rd
man/metabolights_studies_list.Rd
man/recursive_feature_elimination.Rd
man/subset_samples_by_metadata_values.Rd
man/impute_nas_mean.Rd
man/pca_plot_3d.Rd
man/pca_scoresplot3D_rgl.Rd
man/create_pathway_with_reactions.Rd
man/merge_data_metadata.Rd
man/pca_kmeans_plot2D.Rd
man/convert_chebi_to_kegg.Rd
man/count_missing_values_per_sample.Rd
man/subset_random_samples.Rd
man/pca_biplot.Rd
man/read_data_csv.Rd
man/read_multiple_csvs.Rd
man/summary_var_importance.Rd
man/remove_data.Rd
man/subset_x_values.Rd
man/remove_metadata_variables.Rd
man/read_data_dx.Rd
man/get_files_list_per_assay.Rd
man/flat_pattern_filter.Rd
man/aov_all_vars.Rd
man/impute_nas_median.Rd
man/subset_metadata.Rd
man/read_csvs_folder.Rd
man/train_classifier.Rd
man/get_metabPaths_org.Rd
man/convert_hmdb_to_kegg.Rd
man/read-spc.Rd
man/read_ms_spectra.Rd
man/peak_detection2d.Rd
man/dataset_from_peaks.Rd
man/read_metadata.Rd
man/pca_scoresplot2D.Rd
man/read_dataset_csv.Rd
man/create_dataset.Rd
man/get_samples_names_dx.Rd
man/apply_by_groups.Rd
man/subset_by_samples_and_xvalues.Rd
man/apply_by_group.Rd
man/pca_robust.Rd
man/convert_keggpathway_2_reactiongraph.Rd
man/convert_from_chemospec.Rd
man/get_OrganismsCodes.Rd
man/subset_samples.Rd
man/get_peak_values.Rd
man/get_paths_with_cpds_org.Rd
man/pca_kmeans_plot3D.Rd
man/baseline_correction.Rd
man/get_metabolights_study_metadata_assay.Rd
man/get_metabolights_study_samples_files.Rd
man/get_metabolights_study_files_assay.Rd
man/pca_biplot3D.Rd
man/pca_scoresplot3D.Rd
man/filter_feature_selection.Rd
man/remove_data_variables.Rd
man/get_metabolights_study.Rd
man/get_x_label.Rd
man/pca_screeplot.Rd
man/train_models_performance.Rd
man/multiClassSummary.Rd
man/pathway_analysis.Rd
man/remove_variables_by_nas.Rd
man/train_and_predict.Rd
man/subset_x_values_by_interval.Rd
man/feature_selection.Rd
man/remove_samples.Rd
man/aggregate_samples.Rd
man/convert_multiple_spcmnm_to_kegg.Rd
man/specmine-package.Rd
man/pca_pairs_plot.Rd
man/aov_one_var.Rd
man/pca_pairs_kmeans_plot.Rd
man/spectra_options.Rd
man/missingvalues_imputation.Rd
man/remove_samples_by_na_metadata.Rd
man/get_cpd_names.Rd
