Package index
-
annotate_masses()
- Annotate masses
-
annotate_spectra()
- Annotate spectra
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benchmark_taxize_spectra()
- Benchmark taxize spectra
-
calculate_entropy_score()
- Calculate entropy score
-
calculate_mass_of_m()
- Calculate mass of M
-
change_params_small()
- Change Params Small
-
clean_bio()
- Clean bio
-
clean_chemo()
- Clean chemo
-
clean_collapse()
- Clean collapse
-
columns_model()
- Columns model
-
complement_metadata_structures()
- Complement metadata of structures
-
copy_backbone()
- Copy backbone
-
create_components()
- Create components
-
create_dir()
- Create directory
-
create_edges()
- Create edges
-
create_edges_spectra()
- Create edges spectra
-
decorate_bio()
- Decorate bio
-
decorate_chemo()
- Decorate chemo
-
decorate_masses()
- Decorate masses
-
dist_get()
- Distance between two elements in a distance matrix
-
dist_groups()
- Dist groups
-
export_output()
- Export output
-
export_params()
- Export parameters
-
export_spectra_rds()
- Export spectra RDS
-
extract_spectra()
- Extract spectra from a Spectra object
-
fake_annotations_columns()
- Fake annotations columns
-
fake_ecmdb()
- Fake ECMDB
-
fake_hmdb()
- Fake HMDB
-
fake_lotus()
- Fake LOTUS
-
fake_sop_columns()
- Fake SOP columns
-
filter_annotations()
- Filter annotations
-
filter_high_confidence_only()
- Filter high confidence only
-
get_default_paths()
- Get default paths
-
get_example_files()
- Get example files
-
get_example_sirius()
- Get example sirius
-
get_file()
- Get file
-
get_gnps_tables()
- Get GNPS Tables
-
get_last_version_from_zenodo()
- Get last version from Zenodo
-
get_massbank_spectra()
- Get MassBank spectra
-
get_organism_taxonomy_ott()
- Get organism taxonomy (Open Tree of Life Taxonomy)
-
get_params()
- Get parameters
-
go_to_cache()
- Go to cache
-
harmonize_adducts()
- Harmonize adducts
-
harmonize_names_sirius()
- Harmonize names sirius
-
harmonize_spectra()
- Harmonize spectra
-
import_spectra()
- Import spectra
-
install()
- Install
-
load_yaml_files()
- Load yaml files
-
log_debug()
- Log debug
-
log_pipe()
- Log pipe
-
parse_adduct()
- Parse adduct
-
parse_cli_params()
- Parse CLI parameters
-
parse_yaml_params()
- Parse YAML parameters
-
pre_harmonize_names_sirius()
- Pre harmonize names sirius
-
prepare_annotations_gnps()
- Prepare annotations GNPS
-
prepare_annotations_sirius()
- Prepare annotations SIRIUS
-
prepare_annotations_spectra()
- Prepare annotations MS2
-
prepare_features_components()
- Prepare features components
-
prepare_features_edges()
- Prepare features edges
-
prepare_features_tables()
- Prepare features table
-
prepare_libraries_rt()
- Prepare libraries of retention times
-
prepare_libraries_sop_closed()
- Prepare libraries of structure organism pairs CLOSED
-
prepare_libraries_sop_ecmdb()
- Prepare libraries of structure organism pairs ECMDB
-
prepare_libraries_sop_hmdb()
- Prepare libraries of structure organism pairs HMDB
-
prepare_libraries_sop_lotus()
- Prepare libraries of structure organism pairs LOTUS
-
prepare_libraries_sop_merged()
- Prepare merged structure organism pairs libraries
-
prepare_libraries_spectra()
- Prepare libraries of spectra
-
prepare_params()
- Prepare params
-
prepare_taxa()
- Prepare taxa
-
read_from_sirius_zip()
- Read from SIRIUS zip
-
replace_id()
- Replace ID in file paths
-
round_reals()
- Round reals
-
run_app()
- Run app
-
sanitize_spectra()
- Sanitize spectra
-
select_annotations_columns()
- Select annotations columns
-
select_sirius_columns_canopus()
- Select sirius columns (canopus)
-
select_sirius_columns_formulas()
- Select sirius columns (formulas)
-
select_sirius_columns_structures()
- Select sirius columns (structures)
-
select_sop_columns()
- Select SOP columns
-
split_tables_sop()
- Split Structure Organism Pairs table
-
tima_full()
- Tima Full
-
transform_score_sirius_csi()
- Transform score sirius CSI
-
weight_annotations()
- Weight annotations
-
weight_bio()
- Weight bio
-
weight_chemo()
- Weight chemo