API for specmine
Metabolomics and Spectral Data Analysis and Mining

Global functions
.get_density_plot_data Source code
.get_gmm_plot_data Source code
.get_knn_indices Source code
.get_rank_matrix Source code
Hyper_method Source code
Hyper_uniq_method Source code
MAIT_identify_metabolites Source code
Match_uniq_method Source code
absorbance_to_transmittance Source code
aggregate_samples Man page
aov_all_vars Man page
aov_one_var Man page
apply_by_group Man page
apply_by_groups Man page
apply_filter_function Source code
background_correction Source code
baseline_correction Man page Source code
boxplot_vars_factor Source code
calculate_ellipses Source code
cluster_quality_metrics Source code
clustering Source code
color_leaf Source code
compare_clusterings Source code
compare_embeddings Source code
compounds_in_group Source code
compounds_in_organism Source code
continuity_metric Source code
convert_chebi_to_kegg Man page Source code
convert_chebi_to_spcmnm Source code
convert_from_chemospec Man page Source code
convert_hmdb_to_kegg Man page Source code
convert_keggpathway_2_reactiongraph Man page Source code
convert_multiple_spcmnm_to_kegg Man page Source code
convert_spcmnm_to_kegg Source code
correlation_test Source code
correlations_dataset Source code
correlations_test Source code
count_missing_values Man page Source code
count_missing_values_per_sample Man page Source code
count_missing_values_per_variable Man page Source code
create_dataset Man page
create_metaboanalyst_mat Source code
create_pathway_with_reactions Man page Source code
cv Source code
dataset_from_peaks Man page
dbscan_analysis_dataset Source code
dbscan_pairs_plot Source code
dbscan_plot2D Source code
dbscan_plot3D Source code
dbscan_predict_newdata Source code
dendrogram_plot Source code
dendrogram_plot_col Source code
descendMin Source code
embedding_quality_metrics Source code
feature_selection Man page Source code
filter_feature_selection Man page Source code
findEqualGreaterM Source code
first_derivative Source code
flat_pattern_filter Man page
flat_pattern_filter_percentage Source code
flat_pattern_filter_threshold Source code
fold_change Source code
fold_change_var Source code
get_MetabolitePath Man page Source code
get_OrganismsCodes Man page Source code
get_cpd_names Man page Source code
get_files_list_per_assay Man page Source code
get_kegg_groups Source code
get_metabPaths_org Man page Source code
get_metabolights_study Man page Source code
get_metabolights_study_files_assay Man page Source code
get_metabolights_study_metadata_assay Man page Source code
get_metabolights_study_samples_files Man page Source code
get_organisms_in_group Source code
get_paths_with_cpds_org Man page Source code
get_peak_values Man page
get_samples_names_dx Man page
get_samples_names_spc Source code
get_spcmnm_from_spcmns Source code
get_x_label Man page
get_x_values_as_text Man page
getbynames Source code
gmm_analysis_dataset Source code
gmm_bic_plot Source code
gmm_pairs_plot Source code
gmm_plot2D Source code
gmm_plot3D Source code
gmm_uncertainty_plot2D Source code
group_peaks_metaboanalyst Source code
hdbscan_analysis_dataset Source code
hdbscan_pairs_plot Source code
hdbscan_plot2D Source code
hdbscan_plot3D Source code
hdbscan_predict_newdata Source code
heatmap_correlations Source code
hierarchical_clustering Source code
ica_analysis_dataset Source code
ica_kmeans_plot2D Source code
ica_kmeans_plot3D Source code
ica_loadingsplot Source code
ica_pairs_kmeans_plot Source code
ica_pairs_plot Source code
ica_scoresplot2D Source code
ica_scoresplot3D Source code
identification_nmr_peaks Source code
impute_nas_knn Man page
impute_nas_linapprox Source code
impute_nas_mean Man page
impute_nas_median Man page
impute_nas_value Man page
isPositive Source code
is_compound_in_entity Source code
is_compound_in_group Source code
is_compound_in_organism Source code
is_group Source code
is_organism Source code
kmeans_clustering Source code
kmeans_plot Source code
kmeans_result_df Source code
kruskalTest_dataset Source code
ksTest_dataset Source code
linreg_coef_table Source code
linreg_pvalue_table Source code
linreg_rsquared Source code
localMax Source code
match_Hyper Source code
match_Match_uniq Source code
mean_centering Source code
merge_data_metadata Man page Source code
metabolights_studies_list Man page Source code
metadata_as_variables Source code
missingvalues_imputation Man page
ms_create_matrix Source code
ms_fill_peaks Source code
ms_rt_correction Source code
multiClassSummary Man page Source code
multifactor_aov_pvalues_table Source code
multifactor_aov_varexp_table Source code
multiplot Source code
nmr_identification Source code
offset_correction Source code
pathway_analysis Man page Source code
pca_analysis_dataset Man page Source code
pca_biplot Man page Source code
pca_biplot3D Man page Source code
pca_importance Source code
pca_kmeans_plot2D Man page Source code
pca_kmeans_plot3D Man page Source code
pca_pairs_kmeans_plot Man page Source code
pca_pairs_plot Man page Source code
pca_plot_3d Man page Source code
pca_robust Man page Source code
pca_scoresplot2D Man page Source code
pca_scoresplot3D Man page Source code
pca_scoresplot3D_rgl Man page Source code
pca_screeplot Man page Source code
peak_detection2d Man page Source code
peaklist Source code
peaks_to_dataset Source code
plot_2d_spectra Source code
plot_anova Source code
plot_fold_change Source code
plot_kruskaltest Source code
plot_kstest Source code
plot_peaks Source code
plot_regression_coefs_pvalues Source code
plot_ttests Source code
plotvar_twofactor Source code
predict_samples Source code
read_csvs_folder Man page
read_data_csv Man page Source code
read_data_dx Man page
read_data_spc Source code
read_dataset_csv Man page Source code
read_dataset_dx Man page
read_dataset_spc Source code
read_metadata Man page Source code
read_ms_spec Source code
read_ms_spectra Man page Source code
read_multiple_csvs Man page
read_spc_nosubhdr Man page Source code
rectUnique Source code
recursive_feature_elimination Man page Source code
remove_data Man page Source code
remove_data_variables Man page Source code
remove_metadata_variables Man page Source code
remove_samples Man page Source code
remove_samples_by_na_metadata Man page Source code
remove_samples_by_nas Man page Source code
remove_variables_by_nas Man page Source code
remove_x_values_by_interval Man page Source code
savitzky_golay Source code
scale_to_interval Source code
score_freq Source code
score_organism Source code
score_solvent Source code
set_groups_metaboanalyst Source code
smoothing_interpolation Source code
smoothing_spcbin Source code
smoothing_spcloess Source code
snr_all Source code
snr_spectra Source code
snv_dataset Source code
specmine Man page
specmine-package Man page
specmine.bin Source code
specmine.loess Source code
spectra_options Man page
split_line Source code
split_string Source code
subset_by_samples_and_xvalues Man page Source code
subset_metadata Man page Source code
subset_random_samples Man page Source code
subset_samples Man page Source code
subset_samples_by_metadata_values Man page Source code
subset_x_values Man page Source code
subset_x_values_by_interval Man page Source code
summary_var_importance Man page Source code
tTests_dataset Source code
tTests_pvalue Source code
trainClassifier Source code
train_and_predict Man page Source code
train_classifier Man page Source code
train_models_performance Man page Source code
transmittance_to_absorbance Source code
trim Source code
trustworthiness_metric Source code
tsne_analysis_dataset Source code
tsne_kmeans_plot2D Source code
tsne_kmeans_plot3D Source code
tsne_pairs_kmeans_plot Source code
tsne_pairs_plot Source code
tsne_scoresplot2D Source code
tsne_scoresplot3D Source code
umap_analysis_dataset Source code
umap_kmeans_plot2D Source code
umap_kmeans_plot3D Source code
umap_pairs_kmeans_plot Source code
umap_pairs_plot Source code
umap_scoresplot2D Source code
umap_scoresplot3D Source code
uniqueness_scores Source code
var_importance Source code
variables_as_metadata Source code
volcano_plot_fc_tt Source code
wavelength.seq Source code
wavelengths Source code
specmine documentation built on Aug. 5, 2026, 5:06 p.m.