Index

A

add_nucleus() (nmraspecds.metadata.Experiment method) add_preprocessing_step() (nmraspecds.analysis.AreaOfSlices method) (nmraspecds.analysis.ChemicalShiftCalibration method) (nmraspecds.analysis.RMSD method) add_reference() (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method) AggregatedAnalysisStep (class in nmraspecds.analysis) allowed_types (nmraspecds.plotting.MultiPlotter1D property) (nmraspecds.plotting.MultiPlotter1DStacked property) (nmraspecds.plotting.SinglePlotter1D property) (nmraspecds.plotting.SinglePlotter2D property) analyse() (nmraspecds.analysis.AggregatedAnalysisStep method) (nmraspecds.analysis.AreaOfSlices method) (nmraspecds.analysis.ChemicalShiftCalibration method) (nmraspecds.analysis.RMSD method) (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method) analyze() (nmraspecds.analysis.AggregatedAnalysisStep method) (nmraspecds.analysis.AreaOfSlices method) (nmraspecds.analysis.ChemicalShiftCalibration method) (nmraspecds.analysis.RMSD method) (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method) annotate() (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method) (nmraspecds.plotting.FittingPlotter2D method) (nmraspecds.plotting.MultiPlotter1D method) (nmraspecds.plotting.MultiPlotter1DStacked method) (nmraspecds.plotting.SinglePlotter1D method) (nmraspecds.plotting.SinglePlotter2D method) (nmraspecds.plotting.SinglePlotter2DStacked method)

append_history_record() (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method) applicable() (nmraspecds.analysis.AggregatedAnalysisStep static method) (nmraspecds.analysis.AreaOfSlices static method) (nmraspecds.analysis.ChemicalShiftCalibration static method) (nmraspecds.analysis.RMSD static method) (nmraspecds.plotting.FittingPlotter2D static method) (nmraspecds.plotting.MultiPlotter1D static method) (nmraspecds.plotting.MultiPlotter1DStacked static method) (nmraspecds.plotting.SinglePlotter1D static method) (nmraspecds.plotting.SinglePlotter2D static method) (nmraspecds.plotting.SinglePlotter2DStacked static method) (nmraspecds.processing.ExternalReferencing static method) (nmraspecds.processing.Normalisation static method) AreaOfSlices (class in nmraspecds.analysis) args (nmraspecds.io.UnsupportedDataFormatError attribute) attr (nmraspecds.analysis.AggregatedAnalysisStep attribute) (nmraspecds.analysis.AreaOfSlices attribute) (nmraspecds.analysis.RMSD attribute) (nmraspecds.io.FittingImporter attribute) ax (nmraspecds.plotting.FittingPlotter2D property) (nmraspecds.plotting.MultiPlotter1D property) (nmraspecds.plotting.MultiPlotter1DStacked property) (nmraspecds.plotting.SinglePlotter1D property) (nmraspecds.plotting.SinglePlotter2D property) (nmraspecds.plotting.SinglePlotter2DStacked property)

B

base_frequency (nmraspecds.metadata.Nucleus attribute)

BrukerImporter (class in nmraspecds.io)

C

CalculatedDataset (class in nmraspecds.dataset) cap_material (nmraspecds.metadata.Rotor attribute) ChemicalShiftCalibration (class in nmraspecds.analysis) configuration (nmraspecds.metadata.Probehead attribute) container (nmraspecds.metadata.Sample attribute) convert_delta_kHz_to_ppm() (in module nmraspecds.utils) convert_ppm_to_delta_kHz() (in module nmraspecds.utils) create_dataset() (nmraspecds.analysis.AggregatedAnalysisStep method) (nmraspecds.analysis.AreaOfSlices method) (nmraspecds.analysis.ChemicalShiftCalibration method) (nmraspecds.analysis.RMSD method)

create_history_record() (nmraspecds.analysis.AreaOfSlices method) (nmraspecds.analysis.ChemicalShiftCalibration method) (nmraspecds.analysis.RMSD method) (nmraspecds.plotting.FittingPlotter2D method) (nmraspecds.plotting.SinglePlotter1D method) (nmraspecds.plotting.SinglePlotter2D method) (nmraspecds.plotting.SinglePlotter2DStacked method) (nmraspecds.processing.ExternalReferencing method) (nmraspecds.processing.Normalisation method)

D

DatasetFactory (class in nmraspecds.dataset) DatasetImporterFactory (class in nmraspecds.io) delete_analysis() (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method) delete_annotation() (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method) (nmraspecds.plotting.FittingPlotter2D method) (nmraspecds.plotting.MultiPlotter1D method) (nmraspecds.plotting.MultiPlotter1DStacked method) (nmraspecds.plotting.SinglePlotter1D method) (nmraspecds.plotting.SinglePlotter2D method) (nmraspecds.plotting.SinglePlotter2DStacked method)

delete_representation() (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method) description (nmraspecds.metadata.Sample attribute) diameter (nmraspecds.metadata.Rotor attribute) drawings (nmraspecds.plotting.FittingPlotter2D property) (nmraspecds.plotting.SinglePlotter2DStacked property)

E

Experiment (class in nmraspecds.metadata) experiment (nmraspecds.metadata.ExperimentalDatasetMetadata attribute) ExperimentalDataset (class in nmraspecds.dataset)

ExperimentalDatasetMetadata (class in nmraspecds.metadata) export_to() (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method) ExternalReferencing (class in nmraspecds.processing)

F

fig (nmraspecds.plotting.FittingPlotter2D property) (nmraspecds.plotting.MultiPlotter1D property) (nmraspecds.plotting.MultiPlotter1DStacked property) (nmraspecds.plotting.SinglePlotter1D property) (nmraspecds.plotting.SinglePlotter2D property) (nmraspecds.plotting.SinglePlotter2DStacked property) FittingImporter (class in nmraspecds.io) FittingPlotter2D (class in nmraspecds.plotting) from_dict() (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method) (nmraspecds.metadata.Experiment method) (nmraspecds.metadata.ExperimentalDatasetMetadata method) (nmraspecds.metadata.Nucleus method) (nmraspecds.metadata.Probehead method) (nmraspecds.metadata.Rotor method) (nmraspecds.metadata.Sample method) (nmraspecds.metadata.SampleContainer method) (nmraspecds.metadata.Spectrometer method)

G

get_dataset() (nmraspecds.dataset.DatasetFactory method)

get_importer() (nmraspecds.io.DatasetImporterFactory method) get_maxima() (nmraspecds.plotting.FittingPlotter2D method)

I

import_from() (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method) import_into() (nmraspecds.io.BrukerImporter method) (nmraspecds.io.FittingImporter method) (nmraspecds.io.ScreamImporter method)

importer_factory (nmraspecds.dataset.DatasetFactory attribute) insert (nmraspecds.metadata.Rotor attribute)

L

load() (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method)

M

manufacturer (nmraspecds.metadata.Rotor attribute) mas_frequency (nmraspecds.metadata.Experiment attribute) material (nmraspecds.metadata.Rotor attribute) message (nmraspecds.io.UnsupportedDataFormatError attribute) model (nmraspecds.metadata.Probehead attribute) (nmraspecds.metadata.Spectrometer attribute) module nmraspecds.analysis nmraspecds.dataset nmraspecds.io nmraspecds.metadata nmraspecds.plotting nmraspecds.processing nmraspecds.utils

MultiPlotter1D (class in nmraspecds.plotting) MultiPlotter1DStacked (class in nmraspecds.plotting)

N

nmraspecds.analysis module nmraspecds.dataset module nmraspecds.io module nmraspecds.metadata module

nmraspecds.plotting module nmraspecds.processing module nmraspecds.utils module Normalisation (class in nmraspecds.processing) nuclei (nmraspecds.metadata.Experiment attribute) Nucleus (class in nmraspecds.metadata)

O

offset_hz (nmraspecds.metadata.Nucleus attribute)

offset_ppm (nmraspecds.metadata.Nucleus property)

P

package_name (nmraspecds.dataset.CalculatedDataset property) (nmraspecds.dataset.ExperimentalDataset property) parameters (nmraspecds.analysis.ChemicalShiftCalibration attribute) (nmraspecds.io.BrukerImporter attribute) (nmraspecds.plotting.FittingPlotter2D attribute), [1] (nmraspecds.plotting.PlotterExtensions attribute) (nmraspecds.processing.ExternalReferencing attribute) plot() (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method) (nmraspecds.plotting.FittingPlotter2D method) (nmraspecds.plotting.MultiPlotter1D method) (nmraspecds.plotting.MultiPlotter1DStacked method) (nmraspecds.plotting.SinglePlotter1D method) (nmraspecds.plotting.SinglePlotter2D method) (nmraspecds.plotting.SinglePlotter2DStacked method)

PlotterExtensions (class in nmraspecds.plotting) plug (nmraspecds.metadata.Rotor attribute) preparation (nmraspecds.metadata.Sample attribute) print_rmsd_in_spectrum() (nmraspecds.plotting.FittingPlotter2D method) Probehead (class in nmraspecds.metadata) probehead (nmraspecds.metadata.ExperimentalDatasetMetadata attribute) process() (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method) (nmraspecds.processing.ExternalReferencing method) (nmraspecds.processing.Normalisation method)

R

redo() (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method) remove_reference() (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method)

RMSD (class in nmraspecds.analysis) Rotor (class in nmraspecds.metadata) runs (nmraspecds.metadata.Experiment attribute)

S

Sample (class in nmraspecds.metadata) sample (nmraspecds.metadata.ExperimentalDatasetMetadata attribute) SampleContainer (class in nmraspecds.metadata) save() (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method) (nmraspecds.plotting.FittingPlotter2D method) (nmraspecds.plotting.MultiPlotter1D method) (nmraspecds.plotting.MultiPlotter1DStacked method) (nmraspecds.plotting.SinglePlotter1D method) (nmraspecds.plotting.SinglePlotter2D method) (nmraspecds.plotting.SinglePlotter2DStacked method)

ScreamImporter (class in nmraspecds.io) SinglePlotter1D (class in nmraspecds.plotting) SinglePlotter2D (class in nmraspecds.plotting) SinglePlotter2DStacked (class in nmraspecds.plotting) software (nmraspecds.metadata.Spectrometer attribute) solvent (nmraspecds.metadata.Sample attribute) Spectrometer (class in nmraspecds.metadata) spectrometer (nmraspecds.metadata.ExperimentalDatasetMetadata attribute) spectrometer_frequency (nmraspecds.metadata.Experiment attribute) spectrum_reference (nmraspecds.metadata.Experiment property) strip_history() (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method)

T

tabulate() (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method) to_dict() (nmraspecds.analysis.AggregatedAnalysisStep method) (nmraspecds.analysis.AreaOfSlices method) (nmraspecds.analysis.ChemicalShiftCalibration method) (nmraspecds.analysis.RMSD method) (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method) (nmraspecds.metadata.Experiment method) (nmraspecds.metadata.ExperimentalDatasetMetadata method) (nmraspecds.metadata.Nucleus method) (nmraspecds.metadata.Probehead method) (nmraspecds.metadata.Rotor method) (nmraspecds.metadata.Sample method) (nmraspecds.metadata.SampleContainer method) (nmraspecds.metadata.Spectrometer method) (nmraspecds.plotting.FittingPlotter2D method) (nmraspecds.plotting.MultiPlotter1D method) (nmraspecds.plotting.MultiPlotter1DStacked method) (nmraspecds.plotting.SinglePlotter1D method) (nmraspecds.plotting.SinglePlotter2D method) (nmraspecds.plotting.SinglePlotter2DStacked method) (nmraspecds.processing.ExternalReferencing method) (nmraspecds.processing.Normalisation method)

transmitter_frequency (nmraspecds.metadata.Nucleus property) type (nmraspecds.metadata.Experiment attribute) (nmraspecds.metadata.Nucleus attribute) (nmraspecds.plotting.MultiPlotter1D property) (nmraspecds.plotting.MultiPlotter1DStacked property) (nmraspecds.plotting.SinglePlotter1D property) (nmraspecds.plotting.SinglePlotter2D property)

U

undo() (nmraspecds.dataset.CalculatedDataset method) (nmraspecds.dataset.ExperimentalDataset method)

UnsupportedDataFormatError

W

with_traceback() (nmraspecds.io.UnsupportedDataFormatError method)