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Index

A

A (ActionMassKinetics attribute) (FastICA attribute) (in module spectrochempy.tensor) a_ (MSCTransformer attribute) abs() (in module spectrochempy) (NDDataset method) absolute() (in module spectrochempy) (NDDataset method) acquisition_date (NDDataset attribute) ActionMassKinetics (class in spectrochempy) add_coordset() (NDDataset method) add_dataset() (Project method) add_datasets() (Project method) add_project() (Project method) add_projects() (Project method) algorithm (FastICA attribute) align() (in module spectrochempy) all() (in module spectrochempy) (NDDataset method) allitems (Project attribute) allnames (Project attribute) alpha_H (NMF attribute) alpha_W (NMF attribute) ALS amax() (Coord method) (in module spectrochempy) (NDDataset method) amin() (Coord method) (in module spectrochempy) (NDDataset method) amplitude_mode (Optimize attribute) any() (in module spectrochempy) (NDDataset method) API append() (ScpObjectList method) arange() (Coord method) (in module spectrochempy) (NDDataset method) argmax() (in module spectrochempy) (NDDataset method)

argmin() (in module spectrochempy) (NDDataset method) args (asymmetricvoigtmodel attribute) (gaussianmodel attribute) (lorentzianmodel attribute) (polynomialbaseline attribute) (sigmoidmodel attribute) (voigtmodel attribute) argsGetConc (MCRALS attribute) argsGetSpec (MCRALS attribute) around() (Coord method) (in module spectrochempy) (NDDataset method) array-like asfortranarray() (NDDataset method) AsLS asls() (in module spectrochempy) astype() (Coord method) (NDDataset method) asymmetricvoigt() (in module spectrochempy) asymmetricvoigtmodel (class in spectrochempy) asymmetry (Baseline attribute) atleast_2d() (NDDataset method) augmented_structure (MCRALS attribute) author (NDDataset attribute) autoampl (Optimize attribute) autobase (Optimize attribute) autoscale() (in module spectrochempy) AutoscaleTransformer (class in spectrochempy) autosub() (in module spectrochempy) available_names (CoordSet attribute) average() (in module spectrochempy) (NDDataset method) ax (NDDataset attribute) axec (NDDataset attribute) axecT (NDDataset attribute) axex (NDDataset attribute) axey (NDDataset attribute) axT (NDDataset attribute)

B

B (ActionMassKinetics attribute) (in module spectrochempy.tensor) b_ (MSCTransformer attribute) b_ev (EFA attribute) bartlett() (in module spectrochempy) basc() (in module spectrochempy) baseline (Baseline attribute) Baseline (class in spectrochempy) beta_loss (NMF attribute) blackmanharris() (in module spectrochempy)

blocks (Closure attribute) (Constraint attribute) (FixedValues attribute) (ModelProfile attribute) (Monotonic attribute) (NonNegative attribute) (ReferenceProfile attribute) (Selectivity attribute) (Unimodal attribute) (ZeroRegion attribute) breakpoints (Baseline attribute)

C

C (in module spectrochempy.tensor) (MCRALS attribute) (SIMPLISMA attribute) C_blocks (MCRALS attribute) C_constrained (MCRALS attribute) C_constrained_list (MCRALS attribute) C_ls_list (MCRALS attribute) callback_every (Optimize attribute) Carroucell center() (in module spectrochempy) CenterTransformer (class in spectrochempy) check() (Quantity method) clear() (ScpObjectList method) clear_datasets() (Project method) clear_projects() (Project method) clip() (in module spectrochempy) (NDDataset method) close_figure() (NDDataset method) closure Closure (class in spectrochempy.analysis.constraints) closureConc (MCRALS attribute) closureMethod (MCRALS attribute) closures closureTarget (MCRALS attribute) coef (LSTSQ attribute) (NNLS attribute) column() (PeakTable method) columns (PeakTable attribute) comment (NDDataset attribute) component (ReferenceProfile attribute) (Selectivity attribute) components (Closure attribute) (EFA attribute) (FastICA attribute) (FixedValues attribute) (IRIS attribute) (MCRALS attribute) (ModelProfile attribute) (Monotonic attribute) (NMF attribute) (NonNegative attribute) (Optimize attribute) (PCA attribute) (PLSRegression attribute) (SIMPLISMA attribute) (SVD attribute) (Unimodal attribute) (ZeroRegion attribute) compute() (Quantity method) compute_uv (SVD attribute)

concatenate() (in module spectrochempy) config (Baseline attribute) (EFA attribute) (FastICA attribute) (Filter attribute) (IRIS attribute) (LSTSQ attribute) (MCRALS attribute) (NMF attribute) (NNLS attribute) (Optimize attribute) (PCA attribute) (PLSRegression attribute) (PSD attribute) (SIMPLISMA attribute) (SVD attribute) conj() (in module spectrochempy) (NDDataset method) conjugate() (in module spectrochempy) (NDDataset method) Constraint (class in spectrochempy.analysis.constraints) constraints (MCRALS attribute) (Optimize attribute) Coord (class in spectrochempy) coord() (NDDataset method) coordmax() (in module spectrochempy) (NDDataset method) coordmin() (in module spectrochempy) (NDDataset method) coordnames (NDDataset attribute) coords (CoordSet attribute) CoordSet (class in spectrochempy) coordset (NDDataset attribute) coordtitles (NDDataset attribute) coordunits (NDDataset attribute) copy() (Coord method) (CoordSet method) (NDDataset method) (Project method) (ScpObjectList method) core_consistency (in module spectrochempy.tensor) corrected (Baseline attribute) count() (ScpObjectList method) CP (in module spectrochempy.tensor) created (NDDataset attribute) cs() (in module spectrochempy) cumsum() (in module spectrochempy) (NDDataset method) cumulative_explained_variance (SVD attribute) cutoff (EFA attribute) cval (Filter attribute)

D

data (Coord attribute) (NDDataset attribute) (ReferenceProfile attribute) dataset (Experiment attribute) datasets (Experiment attribute) (Project attribute) datasets_names (Project attribute) datatype (Experiment attribute) dc() (in module spectrochempy) debug_() (in module spectrochempy) default (CoordSet attribute) default_format (Quantity attribute) (Unit attribute) default_index (CoordSet attribute) delete_coordset() (NDDataset method) delta (Filter attribute) demodulation (PSD attribute) denoise() (in module spectrochempy) deriv (Filter attribute) description (LSTSQ attribute) (NDDataset attribute) (NNLS attribute) despike() (in module spectrochempy) detrend() (in module spectrochempy) diag() (in module spectrochempy) (NDDataset method)

diagonal() (in module spectrochempy) (NDDataset method) dimensionality (Quantity attribute) (Unit attribute) dimensionless (Coord attribute) (NDDataset attribute) (Quantity attribute) (Unit attribute) dims (NDDataset attribute) direction (Monotonic attribute) directory (NDDataset attribute) dmax_ (NormalizeTransformer attribute) (RangeScaleTransformer attribute) dmin_ (NormalizeTransformer attribute) (RangeScaleTransformer attribute) domain (Experiment attribute) domains (Experiment attribute) dot() (in module spectrochempy) (Quantity method) download_nist_ir() (in module spectrochempy) dry (Optimize attribute) dtype (Coord attribute) (NDDataset attribute) dump() (NDDataset method) (Project method)

E

EFA (class in spectrochempy) em() (in module spectrochempy) empty() (in module spectrochempy) (NDDataset method) empty_like() (in module spectrochempy) (NDDataset method) encoding (Experiment attribute) error_() (in module spectrochempy) errors (in module spectrochempy.tensor) ev (SVD attribute)

ev_cum (SVD attribute) ev_ratio (SVD attribute) Experiment (class in spectrochempy.nmr) experiment_type (Experiment attribute) explained_variance (in module spectrochempy.tensor) (SVD attribute) explained_variance_ratio (SVD attribute) extend() (ScpObjectList method) extraOutputGetConc (MCRALS attribute) extraOutputGetSpec (MCRALS attribute) eye() (in module spectrochempy) (NDDataset method)

F

f_ev (EFA attribute) FastICA (class in spectrochempy) fft() (in module spectrochempy) fig (NDDataset attribute) filename (NDDataset attribute) (Project attribute) filetype (NDDataset attribute) (Project attribute) Filter (class in spectrochempy) filter_by_ndim() (ScpObjectList method) filter_by_shape() (ScpObjectList method) find_peaks() (in module spectrochempy) fit() (AutoscaleTransformer method) (Baseline method) (CenterTransformer method) (EFA method) (FastICA method) (in module spectrochempy.tensor) (IRIS method) (LogTransformer method) (LSTSQ method) (MCRALS method) (MSCTransformer method) (NMF method) (NNLS method) (NormalizeTransformer method) (Optimize method) (ParetoScaleTransformer method) (PCA method) (PLSRegression method) (RangeScaleTransformer method) (RobustScaleTransformer method) (SIMPLISMA method) (SNVTransformer method) (SVD method) fit_intercept (LSTSQ attribute) (NNLS attribute) fit_to_concentrations() (ActionMassKinetics method) fit_transform() (AutoscaleTransformer method) (CenterTransformer method) (EFA method) (FastICA method) (in module spectrochempy.tensor) (IRIS method) (LogTransformer method) (MCRALS method) (MSCTransformer method) (NMF method) (NormalizeTransformer method) (Optimize method) (ParetoScaleTransformer method) (PCA method) (PLSRegression method) (RangeScaleTransformer method) (RobustScaleTransformer method) (SIMPLISMA method) (SNVTransformer method) (SVD method)

FixedValues (class in spectrochempy.analysis.constraints) fp (Optimize attribute) from_() (Unit method) from_list() (Quantity class method) from_netcdf() (NDDataset class method) from_sequence() (Quantity class method) from_xarray() (NDDataset class method) fromfunction() (Coord method) (in module spectrochempy) (NDDataset method) fromiter() (Coord method) (in module spectrochempy) (NDDataset method) fsh() (in module spectrochempy) fsh2() (in module spectrochempy) full() (in module spectrochempy) (NDDataset method) full_like() (in module spectrochempy) (NDDataset method) full_matrices (SVD attribute) fun (FastICA attribute) fun_args (FastICA attribute)

G

gaussian() (in module spectrochempy) gaussianmodel (class in spectrochempy) general_hamming() (in module spectrochempy) geomspace() (Coord method) (in module spectrochempy) (NDDataset method) get_axis() (NDDataset method) get_baseline() (in module spectrochempy) get_components() (EFA method) (FastICA method) (IRIS method) (MCRALS method) (NMF method) (Optimize method) (PCA method) (PLSRegression method) (SIMPLISMA method) (SVD method) get_labels() (Coord method) (NDDataset method) get_loglevel() (in module spectrochempy) get_params() (AutoscaleTransformer method) (Baseline method) (CenterTransformer method) (EFA method) (FastICA method) (IRIS method) (LogTransformer method) (LSTSQ method) (MCRALS method) (MSCTransformer method) (NMF method) (NNLS method) (NormalizeTransformer method) (Optimize method) (ParetoScaleTransformer method) (PCA method) (PLSRegression method) (RangeScaleTransformer method) (RobustScaleTransformer method) (SIMPLISMA method) (SNVTransformer method) (SVD method)

getC_to_C_idx (MCRALS attribute) getConc (MCRALS attribute) getSpec (MCRALS attribute) getSt_to_St_idx (MCRALS attribute) gm() (in module spectrochempy)

H

hamming() (in module spectrochempy) hann() (in module spectrochempy) hardConc (MCRALS attribute) hardSpec (MCRALS attribute) harmonic (PSD attribute) has_complex_dims (NDDataset attribute) has_data (Coord attribute) (NDDataset attribute)

has_defined_name (Coord attribute) (CoordSet attribute) (NDDataset attribute) (Project attribute) has_units (Coord attribute) (NDDataset attribute) head() (PeakTable method) history (NDDataset attribute) ht() (in module spectrochempy)

I

ICA id (Coord attribute) (CoordSet attribute) (NDDataset attribute) (Project attribute) identity() (in module spectrochempy) (NDDataset method) ifft() (in module spectrochempy) imag (NDDataset attribute) include_limits (Baseline attribute) index() (ScpObjectList method) info_() (in module spectrochempy) init (NMF attribute) init_concentrations (ActionMassKinetics attribute) insert() (ScpObjectList method) integrate() (ActionMassKinetics method) integration_rule (PSD attribute) interactive (SIMPLISMA attribute) intercept (LSTSQ attribute) (NNLS attribute) interpolate() (in module spectrochempy) inverse_transform() (AutoscaleTransformer method) (CenterTransformer method) (EFA method) (FastICA method) (in module spectrochempy.tensor) (IRIS method) (LogTransformer method) (MCRALS method) (MSCTransformer method) (NMF method) (NormalizeTransformer method) (Optimize method) (ParetoScaleTransformer method) (PCA method) (PLSRegression method) (PSD method) (RangeScaleTransformer method) (RobustScaleTransformer method) (SIMPLISMA method) (SNVTransformer method) (SVD method) IRIS (class in spectrochempy.iris)

is_1d (NDDataset attribute) is_augmented (MCRALS attribute) is_compatible_with() (Quantity method) (Unit method) is_complex (NDDataset attribute) is_empty (Coord attribute) (CoordSet attribute) (NDDataset attribute) is_float (Coord attribute) (NDDataset attribute) is_frequency_domain (Experiment attribute) is_integer (Coord attribute) (NDDataset attribute) is_interleaved (NDDataset attribute) is_labeled (Coord attribute) (CoordSet attribute) (NDDataset attribute) is_masked (NDDataset attribute) is_mixed_domain (Experiment attribute) is_multi_dataset (Experiment attribute) is_processable (Experiment attribute) is_processed (Experiment attribute) is_raw (Experiment attribute) is_same_dim (CoordSet attribute) is_time_domain (Experiment attribute) is_units_compatible() (Coord method) (in module spectrochempy) (NDDataset method) iterated_power (PCA attribute) ito() (Coord method) (in module spectrochempy) (NDDataset method) (Quantity method) ito_base_units() (Coord method) (in module spectrochempy) (NDDataset method) (Quantity method) ito_preferred() (Quantity method) ito_reduced_units() (Coord method) (in module spectrochempy) (NDDataset method) (Quantity method) ito_root_units() (Quantity method)

J

jacobian (Optimize attribute)

K

keys() (CoordSet method)

kwargsGetConc (MCRALS attribute) kwargsGetSpec (MCRALS attribute)

L

l1_ratio (NMF attribute) labels (Coord attribute) (CoordSet attribute) (NDDataset attribute) lamb (Baseline attribute) (Filter attribute) laser_frequency (Coord attribute) limits (Coord attribute) (NDDataset attribute) linear (Coord attribute) linearize() (Coord method) linspace() (Coord method) (in module spectrochempy) (NDDataset method) lls (Baseline attribute) load() (in module spectrochempy) (NDDataset class method) (Project class method) load_iris() (in module spectrochempy) loading loadings (in module spectrochempy.tensor) (PCA attribute) loads() (NDDataset class method) (Project class method)

loc2index() (Coord method) local_timezone (NDDataset attribute) log (Baseline attribute) (EFA attribute) (FastICA attribute) (Filter attribute) (IRIS attribute) (LSTSQ attribute) (MCRALS attribute) (NMF attribute) (NNLS attribute) (Optimize attribute) (PCA attribute) (PLSRegression attribute) (PSD attribute) (SIMPLISMA attribute) (SVD attribute) log_transform() (in module spectrochempy) logspace() (Coord method) (in module spectrochempy) (NDDataset method) LogTransformer (class in spectrochempy) lorentzian() (in module spectrochempy) lorentzianmodel (class in spectrochempy) ls() (in module spectrochempy) LSTSQ (class in spectrochempy)

M

m (Coord attribute) (NDDataset attribute) (Quantity attribute) m_as() (Quantity method) m_from() (Unit method) mad_ (RobustScaleTransformer attribute) magnitude (Coord attribute) (NDDataset attribute) (Quantity attribute) mapping (ModelProfile attribute) mask (NDDataset attribute) masked_data (NDDataset attribute) max() (Coord method) (in module spectrochempy) (NDDataset method) max_fun_calls (Optimize attribute) max_iter (Baseline attribute) (FastICA attribute) (MCRALS attribute) (NMF attribute) (Optimize attribute) (PLSRegression attribute) maxdiv (MCRALS attribute) mc() (in module spectrochempy) MCR-ALS MCRALS (class in spectrochempy) mean (FastICA attribute) mean() (in module spectrochempy) (NDDataset method) mean_ (AutoscaleTransformer attribute) (CenterTransformer attribute) (ParetoScaleTransformer attribute) median_ (RobustScaleTransformer attribute)

meta (Coord attribute) (NDDataset attribute) (Project attribute) method (Closure attribute) (Filter attribute) (Optimize attribute) min() (Coord method) (in module spectrochempy) (NDDataset method) mixing (FastICA attribute) mod (Unimodal attribute) mode (Filter attribute) model (Baseline attribute) (ModelProfile attribute) model_args (ModelProfile attribute) model_kwargs (ModelProfile attribute) modeldata (Optimize attribute) ModelProfile (class in spectrochempy.analysis.constraints) modified (NDDataset attribute) monoDecConc (MCRALS attribute) monoDecTol (MCRALS attribute) monoIncConc (MCRALS attribute) monoIncTol (MCRALS attribute) Monotonic (class in spectrochempy.analysis.constraints) msc() (in module spectrochempy) MSCTransformer (class in spectrochempy) multiplot() (in module spectrochempy) multiplot_contour() (in module spectrochempy) multiplot_contourf() (in module spectrochempy) multiplot_lines() (in module spectrochempy) multiplot_scatter() (in module spectrochempy) multiplot_with_transposed() (in module spectrochempy) multivariate (Baseline attribute)

N

n_components (Baseline attribute) (EFA attribute) (FastICA attribute) (IRIS attribute) (MCRALS attribute) (NMF attribute) (Optimize attribute) (PCA attribute) (PLSRegression attribute) (SIMPLISMA attribute) (SVD attribute) n_features n_iter (FastICA attribute) n_observations n_oversamples (PCA attribute) n_reactions (ActionMassKinetics attribute) n_species (ActionMassKinetics attribute) n_spectra_per_cycle (PSD attribute) n_targets name (Baseline attribute) (Closure attribute) (Constraint attribute) (Coord attribute) (EFA attribute) (FastICA attribute) (Filter attribute) (FixedValues attribute) (IRIS attribute) (LSTSQ attribute) (MCRALS attribute) (ModelProfile attribute) (Monotonic attribute) (NDDataset attribute) (NMF attribute) (NNLS attribute) (NonNegative attribute) (Optimize attribute) (PCA attribute) (PLSRegression attribute) (Project attribute) (PSD attribute) (ReferenceProfile attribute) (Selectivity attribute) (SIMPLISMA attribute) (SVD attribute) (Unimodal attribute) (ZeroRegion attribute)

names (CoordSet attribute) (ScpObjectList attribute) ndaxes (NDDataset attribute) NDDataset (class in spectrochempy) ndim (Experiment attribute) (NDDataset attribute) NMF (class in spectrochempy) NNLS (class in spectrochempy) noise (SIMPLISMA attribute) NonNegative (class in spectrochempy.analysis.constraints) nonnegConc (MCRALS attribute) nonnegSpec (MCRALS attribute) norm_ (NormalizeTransformer attribute) normal() (Coord method) (in module spectrochempy) (NDDataset method) normalize() (in module spectrochempy) NormalizeTransformer (class in spectrochempy) normSpec (MCRALS attribute) nuclei (Experiment attribute)

O

ones() (in module spectrochempy) (NDDataset method) ones_like() (in module spectrochempy) (NDDataset method)

Optimize (class in spectrochempy) order (Baseline attribute) (Filter attribute) origin (NDDataset attribute)

P

params() (Baseline method) (EFA method) (FastICA method) (Filter method) (IRIS method) (LSTSQ method) (MCRALS method) (NMF method) (NNLS method) (Optimize method) (PCA method) (PLSRegression method) (PSD method) (SIMPLISMA method) (SVD method) parent (NDDataset attribute) (Project attribute) pareto_scale() (in module spectrochempy) ParetoScaleTransformer (class in spectrochempy) parityplot() (PLSRegression method) pathclean() (in module spectrochempy) PCA (class in spectrochempy) PeakFindingResult (class in spectrochempy) peaks (PeakFindingResult attribute) (PeakTable attribute) PeakTable (class in spectrochempy) persist() (Quantity method) PFR() (in module spectrochempy) phase_unit (PSD attribute) phi (PSD attribute) pipe() (in module spectrochempy) (NDDataset method) pk() (in module spectrochempy) pk_exp() (in module spectrochempy) plot() (Baseline method) (in module spectrochempy) (NDDataset method) plot_1D() (in module spectrochempy) plot_2D() (in module spectrochempy) plot_3D() (in module spectrochempy) plot_bar() (in module spectrochempy) plot_baseline() (in module spectrochempy) plot_compare() (in module spectrochempy) plot_contour() (in module spectrochempy) plot_contourf() (in module spectrochempy) plot_image() (in module spectrochempy) plot_lines() (in module spectrochempy) plot_map() (in module spectrochempy) plot_merit() (EFA method) (FastICA method) (in module spectrochempy) (IRIS method) (MCRALS method) (NMF method) (Optimize method) (PCA method) (PLSRegression method) (SIMPLISMA method) (SVD method)

plot_multiple() (in module spectrochempy) plot_parity() (in module spectrochempy) (PLSRegression method) plot_pen() (in module spectrochempy) plot_scatter() (in module spectrochempy) plot_scatter_pen() (in module spectrochempy) plot_score() (in module spectrochempy) (PCA method) plot_scree() (in module spectrochempy) (PCA method) plot_stack() (in module spectrochempy) plot_surface() (in module spectrochempy) plot_waterfall() (in module spectrochempy) plot_with_transposed() (in module spectrochempy) plotlcurve() (IRIS method) plotmerit() (EFA method) (FastICA method) (IRIS method) (MCRALS method) (NMF method) (Optimize method) (PCA method) (PLSRegression method) (SIMPLISMA method) (SVD method) PLS PLSRegression (class in spectrochempy) polynomial() (in module spectrochempy) polynomialbaseline (class in spectrochempy) pop() (ScpObjectList method) positive (LSTSQ attribute) (NNLS attribute) power_iteration_normalizer (PCA attribute) predict() (LSTSQ method) (NNLS method) (Optimize method) (PLSRegression method) printev() (PCA method) process() (Experiment method) prod() (Quantity method) profile (Closure attribute) (Constraint attribute) (FixedValues attribute) (ModelProfile attribute) (Monotonic attribute) (NonNegative attribute) (ReferenceProfile attribute) (Selectivity attribute) (Unimodal attribute) (ZeroRegion attribute) Project (class in spectrochempy) projects (Project attribute) projects_names (Project attribute) properties (PeakFindingResult attribute) (PeakTable attribute) ps() (in module spectrochempy) PSD (class in spectrochempy) Pt (SIMPLISMA attribute) ptp() (Coord method) (in module spectrochempy) (NDDataset method)

Q

qpsolver (IRIS attribute)

qsin() (in module spectrochempy) Quantity (class in spectrochempy)

R

random() (in module spectrochempy) (NDDataset method) random_state (FastICA attribute) (NMF attribute) (PCA attribute) range_ (NormalizeTransformer attribute) (RangeScaleTransformer attribute) range_scale() (in module spectrochempy) ranges (Baseline attribute) RangeScaleTransformer (class in spectrochempy) rank read() (in module spectrochempy) (in module spectrochempy.nmr) (in module spectrochempy.perkinelmer) read_agilent (in module spectrochempy) (in module spectrochempy.nmr) read_carroucell (in module spectrochempy.carroucell) read_csv() (in module spectrochempy) read_ddr() (in module spectrochempy) read_dir() (in module spectrochempy) read_hdr() (in module spectrochempy) read_jcamp() (in module spectrochempy) read_labspec() (in module spectrochempy) read_mat() (in module spectrochempy) read_matlab() (in module spectrochempy) read_omnic() (in module spectrochempy) read_opus() (in module spectrochempy) read_perkinelmer (in module spectrochempy) (in module spectrochempy.perkinelmer) read_quadera() (in module spectrochempy) read_sdr() (in module spectrochempy) read_soc() (in module spectrochempy) read_spa() (in module spectrochempy) read_spc() (in module spectrochempy) read_spg() (in module spectrochempy) read_srs() (in module spectrochempy) read_topspin (in module spectrochempy) (in module spectrochempy.nmr) read_wdf() (in module spectrochempy) read_wire() (in module spectrochempy) real (NDDataset attribute) reference_ (MSCTransformer attribute) ReferenceProfile (class in spectrochempy.analysis.constraints) reg_par (IRIS attribute)

region (Selectivity attribute) (ZeroRegion attribute) regularization remove() (ScpObjectList method) remove_dataset() (Project method) remove_masks() (in module spectrochempy) (NDDataset method) remove_project() (Project method) reset() (Baseline method) (EFA method) (FastICA method) (Filter method) (IRIS method) (LSTSQ method) (MCRALS method) (NMF method) (NNLS method) (Optimize method) (PCA method) (PLSRegression method) (PSD method) (SIMPLISMA method) (SVD method) reshape() (NDDataset method) result (EFA attribute) (FastICA attribute) (IRIS attribute) (MCRALS attribute) (NMF attribute) (Optimize attribute) (PCA attribute) (SIMPLISMA attribute) (SVD attribute) reverse() (ScpObjectList method) reversed (Coord attribute) robust_scale() (in module spectrochempy) RobustScaleTransformer (class in spectrochempy) roll() (in module spectrochempy) round() (Coord method) (in module spectrochempy) (NDDataset method) round_() (Coord method) (NDDataset method) rs() (in module spectrochempy)

S

s (SIMPLISMA attribute) (SVD attribute) save() (NDDataset method) (Project method) save_as() (NDDataset method) (Project method) savgol() (in module spectrochempy) scale (PLSRegression attribute) scaled (PCA attribute) score score() (LSTSQ method) (NNLS method) (PLSRegression method) scores (PCA attribute) ScpObjectList (class in spectrochempy) script (asymmetricvoigtmodel attribute) (gaussianmodel attribute) (lorentzianmodel attribute) (Optimize attribute) (polynomialbaseline attribute) (sigmoidmodel attribute) (voigtmodel attribute) select() (CoordSet method) select_by_name() (ScpObjectList method) select_largest() (ScpObjectList method) Selectivity (class in spectrochempy.analysis.constraints) set() (CoordSet method) set_complex() (in module spectrochempy) (NDDataset method) set_coordset() (NDDataset method) set_coordtitles() (NDDataset method) set_coordunits() (NDDataset method) set_laser_frequency() (Coord method) set_loglevel() (in module spectrochempy) set_params() (AutoscaleTransformer method) (Baseline method) (CenterTransformer method) (EFA method) (FastICA method) (IRIS method) (LogTransformer method) (LSTSQ method) (MCRALS method) (MSCTransformer method) (NMF method) (NNLS method) (NormalizeTransformer method) (Optimize method) (ParetoScaleTransformer method) (PCA method) (PLSRegression method) (RangeScaleTransformer method) (RobustScaleTransformer method) (SIMPLISMA method) (SNVTransformer method) (SVD method) set_titles() (CoordSet method) set_units() (CoordSet method) shape (Coord attribute) (NDDataset attribute) show() (in module spectrochempy)

show_datapoints (Coord attribute) show_versions() (in module spectrochempy) shuffle (NMF attribute) sigdigits (Coord attribute) sigmoid() (in module spectrochempy) sigmoidmodel (class in spectrochempy) SIMPLISMA (class in spectrochempy) simpson (in module spectrochempy) sine() (in module spectrochempy) singular_values (SVD attribute) sinm() (in module spectrochempy) size (Coord attribute) (CoordSet attribute) (Filter attribute) (NDDataset attribute) sizes (CoordSet attribute) smooth() (in module spectrochempy) snip() (in module spectrochempy) snip_width (Baseline attribute) snv() (in module spectrochempy) SNVTransformer (class in spectrochempy) solver (NMF attribute) solver_C (MCRALS attribute) solver_St (MCRALS attribute) solverConc (MCRALS attribute) solverSpec (MCRALS attribute) sort() (in module spectrochempy) (NDDataset method) (ScpObjectList method) sort_by() (PeakTable method) source_kind (Experiment attribute) sp() (in module spectrochempy) spacing (Coord attribute) species (ActionMassKinetics attribute) squeeze() (in module spectrochempy) (NDDataset method) SSE (in module spectrochempy.tensor) St (FastICA attribute) (MCRALS attribute) (SIMPLISMA attribute) St_blocks (MCRALS attribute) St_constrained_list (MCRALS attribute) St_ls (MCRALS attribute) St_ls_list (MCRALS attribute) stack() (in module spectrochempy) standardized (PCA attribute) std() (in module spectrochempy) (NDDataset method) std_ (AutoscaleTransformer attribute) (ParetoScaleTransformer attribute) storeIterations (MCRALS attribute) suffix (NDDataset attribute) (Project attribute) sum() (in module spectrochempy) (NDDataset method) summary() (Experiment method) sv (SVD attribute) SVD (class in spectrochempy) svd_solver (PCA attribute) swapaxes() (NDDataset method) swapdims() (in module spectrochempy) (NDDataset method)

T

T (NDDataset attribute) table (PeakFindingResult attribute) take() (in module spectrochempy) (NDDataset method) target (Closure attribute) timezone (NDDataset attribute) title (Coord attribute) (NDDataset attribute) titles (CoordSet attribute) to() (Coord method) (in module spectrochempy) (NDDataset method) (Quantity method) to_array() (in module spectrochempy) (NDDataset method) to_base_units() (Coord method) (in module spectrochempy) (NDDataset method) (Quantity method) to_compact() (Quantity method) to_csv() (PeakFindingResult method) (PeakTable method) to_dict() (Baseline method) (CoordSet method) (EFA method) (FastICA method) (Filter method) (IRIS method) (LSTSQ method) (MCRALS method) (NMF method) (NNLS method) (Optimize method) (PCA method) (PeakFindingResult method) (PeakTable method) (PLSRegression method) (PSD method) (SIMPLISMA method) (SVD method) to_netcdf() (in module spectrochempy) (NDDataset method) to_preferred() (Quantity method) to_reduced_units() (Coord method) (in module spectrochempy) (NDDataset method) (Quantity method)

to_root_units() (Quantity method) to_xarray() (in module spectrochempy) (NDDataset method) tol (Baseline attribute) (FastICA attribute) (MCRALS attribute) (NMF attribute) (PCA attribute) (PLSRegression attribute) (SIMPLISMA attribute) tol_profile_change (MCRALS attribute) tol_reconstruction_error (MCRALS attribute) tol_residual_change (MCRALS attribute) tolerance (Monotonic attribute) (Unimodal attribute) top() (PeakTable method) transform() (AutoscaleTransformer method) (Baseline method) (CenterTransformer method) (EFA method) (FastICA method) (Filter method) (IRIS method) (LogTransformer method) (MCRALS method) (MSCTransformer method) (NMF method) (NormalizeTransformer method) (Optimize method) (ParetoScaleTransformer method) (PCA method) (PLSRegression method) (PSD method) (RangeScaleTransformer method) (RobustScaleTransformer method) (SIMPLISMA method) (SNVTransformer method) (SVD method) transpose() (in module spectrochempy) (NDDataset method) trapezoid() (in module spectrochempy) triang() (in module spectrochempy) type (asymmetricvoigtmodel attribute) (gaussianmodel attribute) (lorentzianmodel attribute) (polynomialbaseline attribute) (sigmoidmodel attribute) (voigtmodel attribute)

U

u (Quantity attribute) U (SVD attribute) umasked_data (Coord attribute) (NDDataset attribute) Unimodal (class in spectrochempy.analysis.constraints) unimodality unimodConc (MCRALS attribute) unimodConcMod (MCRALS attribute) unimodConcTol (MCRALS attribute) unimodSpec (MCRALS attribute) unimodSpecMod (MCRALS attribute) unimodSpecTol (MCRALS attribute)

Unit (class in spectrochempy) unit_items() (Quantity method) unitless (Coord attribute) (NDDataset attribute) (Quantity attribute) units (Coord attribute) (CoordSet attribute) (NDDataset attribute) (Quantity attribute) update() (CoordSet method) used_ranges (Baseline attribute) usermodels (Optimize attribute)

V

validate() (Experiment method) validate_constraints() (Optimize method) validate_script() (Optimize method) value (Coord attribute) (NDDataset attribute) values (Coord attribute) (FixedValues attribute) (NDDataset attribute)

var() (in module spectrochempy) (NDDataset method) visualize() (Quantity method) voigt() (in module spectrochempy) voigtmodel (class in spectrochempy) VT (SVD attribute)

W

w_init (FastICA attribute) warm_start (MCRALS attribute) warning_() (in module spectrochempy) weights (in module spectrochempy.tensor) whiten (FastICA attribute) (PCA attribute) whiten_solver (FastICA attribute)

whitening (FastICA attribute) whittaker() (in module spectrochempy) write() (in module spectrochempy) write_csv() (in module spectrochempy) write_jcamp() (in module spectrochempy) write_mat() (in module spectrochempy) write_matlab() (in module spectrochempy)

X

X (Baseline attribute) (EFA attribute) (FastICA attribute) (IRIS attribute) (LSTSQ attribute) (MCRALS attribute) (NMF attribute) (NNLS attribute) (Optimize attribute) (PCA attribute) (PLSRegression attribute) (SIMPLISMA attribute) (SVD attribute)

Y

Y (EFA attribute) (FastICA attribute) (IRIS attribute) (LSTSQ attribute) (MCRALS attribute) (NMF attribute) (NNLS attribute) (Optimize attribute) (PCA attribute) (PLSRegression attribute) (SIMPLISMA attribute) (SVD attribute)

Z

ZeroRegion (class in spectrochempy.analysis.constraints) zeros() (in module spectrochempy) (NDDataset method) zeros_like() (in module spectrochempy) (NDDataset method)

zf() (in module spectrochempy) zf_auto() (in module spectrochempy) zf_double() (in module spectrochempy) zf_size() (in module spectrochempy)