Index

_

__eq__() (RIAssigner.compute.ComputationMethod method) (RIAssigner.compute.ComputationMethod.ComputationMethod method) (RIAssigner.data.MatchMSData method) (RIAssigner.data.MatchMSData.MatchMSData method) (RIAssigner.data.PandasData method) (RIAssigner.data.PandasData.PandasData method) __version__ (in module RIAssigner) (in module RIAssigner.__version__) _assign_ri_value() (in module RIAssigner.data.MatchMSData) _carbon_number_column_names (RIAssigner.data.PandasData attribute) (RIAssigner.data.PandasData.PandasData attribute) _check_data_args() (RIAssigner.compute.ComputationMethod method) (RIAssigner.compute.ComputationMethod.ComputationMethod method) _compute_kovats() (in module RIAssigner.compute.Kovats) _compute_ri() (RIAssigner.compute.Kovats method) (RIAssigner.compute.Kovats.Kovats method) _filename (RIAssigner.data.Data attribute) (RIAssigner.data.Data.Data attribute) _filetype (RIAssigner.data.Data attribute) (RIAssigner.data.Data.Data attribute) _init_carbon_number_index() (RIAssigner.data.PandasData method) (RIAssigner.data.PandasData.PandasData method) _init_ri_column_info() (RIAssigner.data.PandasData method) (RIAssigner.data.PandasData.PandasData method) _init_ri_indices() (RIAssigner.data.PandasData method) (RIAssigner.data.PandasData.PandasData method) _init_rt_column_info() (RIAssigner.data.PandasData method) (RIAssigner.data.PandasData.PandasData method) _keys_conversions (RIAssigner.data.Data attribute) (RIAssigner.data.Data.Data attribute) _read() (RIAssigner.data.MatchMSData method) (RIAssigner.data.MatchMSData.MatchMSData method) (RIAssigner.data.PandasData method) (RIAssigner.data.PandasData.PandasData method) (RIAssigner.data.SimpleData method) (RIAssigner.data.SimpleData.SimpleData method)

_read_into_dataframe() (RIAssigner.data.PandasData method) (RIAssigner.data.PandasData.PandasData method) _read_retention_indices() (RIAssigner.data.MatchMSData method) (RIAssigner.data.MatchMSData.MatchMSData method) _read_retention_times() (RIAssigner.data.MatchMSData method) (RIAssigner.data.MatchMSData.MatchMSData method) _replace_nans_with_0s() (RIAssigner.data.PandasData method) (RIAssigner.data.PandasData.PandasData method) _ri_from_carbon_numbers() (RIAssigner.data.PandasData method) (RIAssigner.data.PandasData.PandasData method) _ri_possible_keys (RIAssigner.data.Data attribute) (RIAssigner.data.Data.Data attribute) _rt_key (RIAssigner.data.PandasData attribute) (RIAssigner.data.PandasData.PandasData attribute) _rt_possible_keys (RIAssigner.data.Data attribute) (RIAssigner.data.Data.Data attribute) _rt_unit (RIAssigner.data.Data attribute) (RIAssigner.data.Data.Data attribute) _sort_by_rt() (RIAssigner.data.PandasData method) (RIAssigner.data.PandasData.PandasData method) _sort_spectra_by_rt() (RIAssigner.data.MatchMSData method) (RIAssigner.data.MatchMSData.MatchMSData method) _unit (RIAssigner.data.Data attribute) (RIAssigner.data.Data.Data attribute) _update_index() (in module RIAssigner.compute.Kovats) _validate_input() (RIAssigner.data.ValidateSimpleData method) (RIAssigner.data.ValidateSimpleData.ValidateSimpleData method) _write_RIs_to_spectra() (RIAssigner.data.MatchMSData method) (RIAssigner.data.MatchMSData.MatchMSData method)

A

add_possible_ri_keys() (RIAssigner.data.Data class method) (RIAssigner.data.Data.Data class method)

add_possible_rt_keys() (RIAssigner.data.Data class method) (RIAssigner.data.Data.Data class method)

C

can_be_float() (RIAssigner.data.Data static method) (RIAssigner.data.Data.Data static method) clean_column_names() (in module RIAssigner.utils) comment (RIAssigner.data.Data property) (RIAssigner.data.Data.Data property) (RIAssigner.data.MatchMSData property) (RIAssigner.data.MatchMSData.MatchMSData property) (RIAssigner.data.PandasData property) (RIAssigner.data.PandasData.PandasData property) (RIAssigner.data.SimpleData property) (RIAssigner.data.SimpleData.SimpleData property) CommentFieldType (RIAssigner.data.Data attribute) (RIAssigner.data.Data.Data attribute)

ComputationMethod (class in RIAssigner.compute) (class in RIAssigner.compute.ComputationMethod) compute() (in module RIAssigner.__main__) (RIAssigner.compute.ComputationMethod method) (RIAssigner.compute.ComputationMethod.ComputationMethod method) (RIAssigner.compute.CubicSpline method) (RIAssigner.compute.CubicSpline.CubicSpline method) (RIAssigner.compute.Kovats method) (RIAssigner.compute.Kovats.Kovats method) create_method() (in module RIAssigner.cli) (in module RIAssigner.cli.CreateMethodAction) CubicSpline (class in RIAssigner.compute) (class in RIAssigner.compute.CubicSpline)

D

Data (class in RIAssigner.data) (class in RIAssigner.data.Data)

define_separator() (in module RIAssigner.utils)

F

filename (RIAssigner.data.Data property) (RIAssigner.data.Data.Data property)

G

get_extension() (in module RIAssigner.utils) get_first_common_element() (in module RIAssigner.utils) get_possible_ri_keys() (RIAssigner.data.Data class method) (RIAssigner.data.Data.Data class method)

get_possible_rt_keys() (RIAssigner.data.Data class method) (RIAssigner.data.Data.Data class method)

H

has_retention_indices() (RIAssigner.data.Data method) (RIAssigner.data.Data.Data method)

has_retention_times() (RIAssigner.data.Data method) (RIAssigner.data.Data.Data method)

I

init_ri_from_comment() (RIAssigner.data.Data method) (RIAssigner.data.Data.Data method)

is_sorted() (in module RIAssigner.utils) is_valid() (RIAssigner.data.Data static method) (RIAssigner.data.Data.Data static method)

K

Kovats (class in RIAssigner.compute) (class in RIAssigner.compute.Kovats)

L

load_data() (in module RIAssigner.cli) (in module RIAssigner.cli.LoadDataAction)

M

main() (in module RIAssigner.__main__) MatchMSData (class in RIAssigner.data) (class in RIAssigner.data.MatchMSData) module RIAssigner RIAssigner.__main__ RIAssigner.__version__ RIAssigner.cli RIAssigner.cli.CreateMethodAction RIAssigner.cli.LoadDataAction RIAssigner.compute RIAssigner.compute.ComputationMethod RIAssigner.compute.CubicSpline RIAssigner.compute.Kovats RIAssigner.data RIAssigner.data.Data RIAssigner.data.MatchMSData RIAssigner.data.PandasData RIAssigner.data.SimpleData RIAssigner.data.ValidateSimpleData RIAssigner.utils

P

PandasData (class in RIAssigner.data) (class in RIAssigner.data.PandasData)

R

retention_indices (RIAssigner.data.Data property) (RIAssigner.data.Data.Data property) (RIAssigner.data.MatchMSData property) (RIAssigner.data.MatchMSData.MatchMSData property) (RIAssigner.data.PandasData property) (RIAssigner.data.PandasData.PandasData property) (RIAssigner.data.SimpleData property) (RIAssigner.data.SimpleData.SimpleData property) retention_times (RIAssigner.data.Data property) (RIAssigner.data.Data.Data property) (RIAssigner.data.MatchMSData property) (RIAssigner.data.MatchMSData.MatchMSData property) (RIAssigner.data.PandasData property) (RIAssigner.data.PandasData.PandasData property) (RIAssigner.data.SimpleData property) (RIAssigner.data.SimpleData.SimpleData property) RetentionIndexType (RIAssigner.data.Data attribute) (RIAssigner.data.Data.Data attribute) RetentionTimeType (RIAssigner.data.Data attribute) (RIAssigner.data.Data.Data attribute) ri_from_comment() (in module RIAssigner.__main__) RIAssigner module RIAssigner.__main__ module RIAssigner.__version__ module

RIAssigner.cli module RIAssigner.cli.CreateMethodAction module RIAssigner.cli.LoadDataAction module RIAssigner.compute module RIAssigner.compute.ComputationMethod module RIAssigner.compute.CubicSpline module RIAssigner.compute.Kovats module RIAssigner.data module RIAssigner.data.Data module RIAssigner.data.MatchMSData module RIAssigner.data.PandasData module RIAssigner.data.SimpleData module RIAssigner.data.ValidateSimpleData module RIAssigner.utils module

S

safe_read_key() (in module RIAssigner.data.MatchMSData) SimpleData (class in RIAssigner.data) (class in RIAssigner.data.SimpleData)

spectra_metadata (RIAssigner.data.MatchMSData property) (RIAssigner.data.MatchMSData.MatchMSData property)

T

T (in module RIAssigner.utils)

U

URegistry (RIAssigner.data.Data attribute) (RIAssigner.data.Data.Data attribute)

V

ValidateSimpleData (class in RIAssigner.data) (class in RIAssigner.data.ValidateSimpleData)

W

write() (RIAssigner.data.Data method) (RIAssigner.data.Data.Data method) (RIAssigner.data.MatchMSData method) (RIAssigner.data.MatchMSData.MatchMSData method) (RIAssigner.data.PandasData method) (RIAssigner.data.PandasData.PandasData method) (RIAssigner.data.SimpleData method) (RIAssigner.data.SimpleData.SimpleData method)