Logo
  • What’s New in Revision 0.8.0
    • New Features
    • Dependency Updates
    • Breaking Changes

🚀 Getting Started

  • 5-minute quickstart
    • Installing SpectroChemPy
    • Getting Started
    • Working with Spectroscopic Data
      • Loading Data
    • Exploring the Data
      • Understanding the NDDataset object
      • Data Visualization
      • Data Selection and Manipulation
      • Mathematical Operations
      • Other Operations
    • Data Processing Techniques
      • Spectral Smoothing
      • Baseline Correction
    • Advanced Analysis
      • IRIS Processing example
      • Other Advanced Analysis Techniques
    • Next Steps 🎯
  • Installation guide
    • Prerequisites
    • Installing Python
      • Conda Package Managers (Recommended)
      • Installation Steps
      • Alternative Installation Methods
    • Installing SpectroChemPy
      • Create Environment
      • Install Package
    • Additional Resources
      • Installation Guide for Windows
        • Requirements
        • Environment Setup
        • Installing SpectroChemPy
        • Verifying Installation
        • Additional Tips
          • Creating a Permanent Environment Shortcut
        • Next Steps
      • Installation Guide for Mac OSX and Linux
        • Requirements
        • Environment Setup
        • Install SpectroChemPy
        • Verifying Installation
        • Next Steps
      • Install in Google Colaboratory (Colab)
        • Introduction
        • Quick Start
        • Installation
        • Working with Data
          • Directly loading Example Files
          • Using File Explorer
          • Using Google Drive
          • Using Git Repository
      • Optional Dependencies
        • Overview
        • Examples and Testing Data
        • Scientific Computing Extensions
          • Cantera
        • GUI Support
          • Qt Backend
        • Troubleshooting
      • Installation from Sources
        • Prerequisites
          • Git Installation
        • Getting the Source Code
        • Installation Methods
        • Verifying Installation
        • Updating SpectroChemPy
  • Example's gallery
    • Core functionalities
      • How to use NDDataset
      • Import / Export
      • Plotting datasets
      • Project Management
        • How to use NDDataset
          • NDDataset creation and plotting example
          • NDDataset coordinates example
          • Units manipulation examples
          • NDDataset creation and plotting example
        • Import / Export
          • Reading datasets
          • Loading an IR (omnic SPG) experimental file
          • Loading Bruker OPUS files
          • Loading of experimental 1D NMR data
          • Loading RAMAN experimental file
          • Reading Renishaw WiRE files
        • Plotting datasets
          • Using plot_multiple to plot several datasets on the same figure
          • Introduction to the plotting librairie
        • Project Management
          • Project creation
    • Analysis NDDataset
      • Decomposition
      • Cross-decomposition
      • Curvefitting
        • Decomposition
          • EFA example
          • EFA (Keller and Massart original example)
          • FastICA example
          • 2D-IRIS analysis example
          • MCR-ALS example (adapted from Jaumot et al. 2005)
          • MCR-ALS with kinetic constraints
          • NMF analysis example
          • PCA example (iris dataset)
          • PCA analysis example
          • SIMPLISMA example
        • Cross-decomposition
          • PLS regression example
        • Curvefitting
          • Fitting 1D dataset
          • Solve a linear equation using LSTSQ
    • Processing NDDataset
      • Apodization
      • Baseline
      • Denoising
      • filtering
      • Processing NMR datasets
      • Processing Raman datasets
        • Apodization
          • Exponential window multiplication
          • Sine bell and squared Sine bell window multiplication
        • Baseline
          • NDDataset baseline correction
        • Denoising
          • Denoising a 2D Raman spectrum
          • Removing cosmic ray spikes from a Raman spectrum
        • filtering
          • Savitky-Golay and Whittaker-Eilers smoothing of a Raman spectrum
        • Processing NMR datasets
          • Analysis CP NMR spectra
          • Processing NMR spectra (slicing, baseline correction, peak picking, peak fitting)
          • Processing Relaxation measurement
        • Processing Raman datasets
          • Processing RAMAN spectra
  • Getting help
    • GitHub Issues
    • GitHub Discussions
    • Stack Overflow
    • Documentation
    • Contribute

📚 User's Guide & Tutorials

  • Introduction
    • About this user’s guide
    • What to do if questions arise
    • How to get started
      • Writing and executing SpectroChemPy scripts
      • Loading the API
    • Where to go next?
  • Import & Export
    • Import Data in SpectroChemPy
      • Generic read command
      • Using a specific reader
      • Using relative or absolute pathnames
      • Good practices
        • Use relative paths
        • Use os or pathlib packages
          • Another default search directory: datadir
      • Reading directories
      • Additional options for reading directories
      • Reading files from a ZIP archive
    • Import IR Data
      • Supported IR File Formats
      • Detailled Tutorials
        • Import of OMNIC files
          • Import spg file
          • Import of .spa files
          • Handling Metadata
          • Error Handling
          • Advanced Data Operations
        • Import of Bruker OPUS files
          • Basic loading of OPUS file
          • Loading given type of OPUS spectra
          • Reading OPUS file Metadata
          • Acting on a parameter
        • Import/Export of JCAMP-DX files
  • Plotting
    • Load the API
    • Loading the data
    • Preparing the data
    • Selecting the output window
    • Default plotting
    • Changing the aspect of the plot
      • Change the NDDataset.preferences
    • Adding titles and annotations
    • Changing the plot style using matplotlib style sheets
    • Create your own style
    • Changing the type of plot
    • Plotting 1D datasets
    • Plotting several dataset on the same figure
    • Overview of the main configuration parameters
  • Processing
    • Slicing NDDatasets
      • What is the slicing ?
      • Slicing of NDDatasets
        • Slicing with indexes
        • Slicing with coordinates
    • Basic transformations
      • Masking data
      • Transposition
      • Changing units
    • Mathematical operations
      • Ufuncs (Universal Numpy’s functions)
      • List of UFuncs working on NDDataset:
        • Functions affecting magnitudes of the number but keeping units
        • Functions affecting magnitudes of the number but also units
        • Functions that require no units or dimensionless units for inputs. Returns dimensionless objects.
        • Functions that return numpy arrays (Work only for NDDataset)
        • Trigonometric functions. Require unitless data or radian units.
        • Hyperbolic functions
        • Unit conversions
        • Binary Ufuncs
      • Usage
        • Unary functions
          • Functions affecting magnitudes of the number but keeping units
          • Functions affecting magnitudes of the number but also units
          • Functions that require no units or dimensionless units for inputs. Returns dimensionless objects.
          • Functions that return numpy arrays (Work only for NDDataset)
          • Trigonometric functions. Require dimensionless/unitless dataset or radians.
          • Angle units conversion
          • Hyperbolic functions
        • Binary functions
          • Arithmetic
      • Complex or hypercomplex NDDatasets
    • Filtering, Smoothing and Denoising
      • The Filter processor
        • Moving average
        • Convolution with window filters
        • Savitzky-Golay filter
        • Whittaker-Eilers filter
      • Filtering using API or NDDataset methods.
        • The smooth method
          • Window size influence
        • Convolution with windows
        • Savitzky-Golay filter:savgol
        • Whittaker-eilers filter : whittaker
    • Baseline corrections
      • The Baseline processor
        • How it works?
        • Example
        • Overview of the other model
          • Polynomial
        • Multivariate approach
      • Baseline correction using NDDataset or API methods
        • Detrending
          • Constant trend
          • Linear trend
          • Polynomial trend
          • Detrend independently on several data segment
        • basc
        • Rubberband
        • Code snippet for ‘advanced’ baseline correction
    • Denoising
      • Denoising 2D spectra
      • Removing cosmic rays spike from Raman spectra
        • Median filter
        • despike method
    • Apodization
      • Introduction
        • Plot of the Real and Imaginary original data
        • Exponential multiplication
          • Shifted apodization
        • Other apodization functions
          • Gaussian-Lorentzian apodization
          • Shifted Gaussian-Lorentzian apodization
          • Apodization using sine window multiplication
    • Time domain baseline correction (NMR)
    • One-dimensional (1D) Fourier transformation
      • FFT of 1D NMR spectra
      • Preprocessing
        • Line broadening
        • Zero-filling
        • Time domain baseline correction
        • Magnitude calculation
        • Power spectrum
    • Real Fourier transform
    • FTIR interferogram processing
      • Comparison with the OMNIC processing.
    • Alignment of datasets
      • Example
      • Methods for alignments
        • inner method
        • first method
        • last method
      • Alignment along several dimensions
  • Analysis
    • Peak Maxima Finding
      • Loading an experimental dataset
      • Find maxima by manual inspection of the plot
      • Find maxima with an automated method: find_peaks()
        • Default behaviour
        • Options of find_peaks()
        • More on peak properties
          • Prominence
          • Width
        • A code snippet to display properties
    • Peak Integration
    • Fitting
      • Solving a linear equation using the least square method (LSTSQ)
      • Least square with non-negativity constraint (NNLS)
      • NDDataset modelling using non-linear optimisation method
        • Baseline correction
        • Peak finding
        • Fitting script
          • Syntax for parameters definition
    • Principal Component Analysis
      • Introduction
      • Loading of the dataset
      • Running a PCA
    • Partial Least Squares Regression (PLSRegression)
      • Introduction
      • Loading of the dataset
      • Running PLSRegression
    • MCR ALS
      • Introduction
      • The (minimal) dataset
      • Initial guess and MCR ALS optimization
        • Case of initial spectral profiles
          • ALS Optimization
          • More information about the MCRALS estimator
          • Solutions
          • A basic illustration of the rotational ambiguity
        • Guessing the concentration profile with PCA + EFA
          • Use of PCA to assess the number of pure species
          • Determination of initial concentrations using EFA
      • Augmented datasets
  • API Configuration
    • General information
    • Loglevel
      • Error handling
  • Core objects
    • NDDataset
      • The NDDataset object
        • Table of Contents
        • Introduction
        • 1D-Dataset (unidimensional dataset)
          • nD-Dataset (multidimensional dataset)
        • About dates and times
        • About the history attribute
        • Units
        • Coordinates
        • Labels
      • More insight on coordinates
        • Sharing coordinates between dimensions
        • Setting coordinates using set_coordset
          • Syntax 1
          • Syntax 2
        • Adding several coordinates to a single dimension
        • Math operations on coordinates
        • Summary of the coordinate setting syntax
      • Methods to create NDDataset
        • Create a dataset from a function
        • Using numpy-like constructors of NDDatasets
        • Copying existing NDDataset
        • Importing from external datasets
    • Project
      • Project management
        • Project creation
        • Remove an element from a project
        • Get project’s elements
        • Saving and loading projects
          • Saving
          • Loading
    • Script

🔍 Reference

  • Public API reference
    • Loading the API
    • The NDDataset Object
      • spectrochempy.NDDataset
        • NDDataset
          • NDDataset.II
          • NDDataset.IR
          • NDDataset.RI
          • NDDataset.RR
          • NDDataset.T
          • NDDataset.acquisition_date
          • NDDataset.author
          • NDDataset.ax
          • NDDataset.axT
          • NDDataset.axec
          • NDDataset.axecT
          • NDDataset.axex
          • NDDataset.axey
          • NDDataset.comment
          • NDDataset.coordnames
          • NDDataset.coordset
          • NDDataset.coordtitles
          • NDDataset.coordunits
          • NDDataset.created
          • NDDataset.data
          • NDDataset.description
          • NDDataset.dimensionless
          • NDDataset.dims
          • NDDataset.directory
          • NDDataset.divider
          • NDDataset.dtype
          • NDDataset.fig
          • NDDataset.fignum
          • NDDataset.filename
          • NDDataset.filetype
          • NDDataset.has_complex_dims
          • NDDataset.has_data
          • NDDataset.has_defined_name
          • NDDataset.has_units
          • NDDataset.history
          • NDDataset.id
          • NDDataset.imag
          • NDDataset.is_1d
          • NDDataset.is_complex
          • NDDataset.is_empty
          • NDDataset.is_float
          • NDDataset.is_integer
          • NDDataset.is_interleaved
          • NDDataset.is_labeled
          • NDDataset.is_masked
          • NDDataset.is_quaternion
          • NDDataset.labels
          • NDDataset.limits
          • NDDataset.local_timezone
          • NDDataset.m
          • NDDataset.magnitude
          • NDDataset.mask
          • NDDataset.masked_data
          • NDDataset.meta
          • NDDataset.modeldata
          • NDDataset.modified
          • NDDataset.name
          • NDDataset.ndaxes
          • NDDataset.ndim
          • NDDataset.origin
          • NDDataset.parent
          • NDDataset.real
          • NDDataset.roi
          • NDDataset.shape
          • NDDataset.size
          • NDDataset.suffix
          • NDDataset.timezone
          • NDDataset.title
          • NDDataset.umasked_data
          • NDDataset.unitless
          • NDDataset.units
          • NDDataset.value
          • NDDataset.values
          • NDDataset.abs
          • NDDataset.absolute
          • NDDataset.add_coordset
          • NDDataset.all
          • NDDataset.amax
          • NDDataset.amin
          • NDDataset.any
          • NDDataset.arange
          • NDDataset.argmax
          • NDDataset.argmin
          • NDDataset.around
          • NDDataset.asfortranarray
          • NDDataset.astype
          • NDDataset.atleast_2d
          • NDDataset.average
          • NDDataset.clip
          • NDDataset.close_figure
          • NDDataset.component
          • NDDataset.conj
          • NDDataset.conjugate
          • NDDataset.coord
          • NDDataset.coordmax
          • NDDataset.coordmin
          • NDDataset.copy
          • NDDataset.cumsum
          • NDDataset.delete_coordset
          • NDDataset.diag
          • NDDataset.diagonal
          • NDDataset.dump
          • NDDataset.empty
          • NDDataset.empty_like
          • NDDataset.eye
          • NDDataset.fromfunction
          • NDDataset.fromiter
          • NDDataset.full
          • NDDataset.full_like
          • NDDataset.geomspace
          • NDDataset.get_axis
          • NDDataset.get_labels
          • NDDataset.identity
          • NDDataset.is_units_compatible
          • NDDataset.ito
          • NDDataset.ito_base_units
          • NDDataset.ito_reduced_units
          • NDDataset.linspace
          • NDDataset.load
          • NDDataset.loads
          • NDDataset.logspace
          • NDDataset.max
          • NDDataset.mean
          • NDDataset.min
          • NDDataset.ones
          • NDDataset.ones_like
          • NDDataset.pipe
          • NDDataset.plot
          • NDDataset.ptp
          • NDDataset.random
          • NDDataset.remove_masks
          • NDDataset.round
          • NDDataset.round_
          • NDDataset.save
          • NDDataset.save_as
          • NDDataset.set_complex
          • NDDataset.set_coordset
          • NDDataset.set_coordtitles
          • NDDataset.set_coordunits
          • NDDataset.set_hypercomplex
          • NDDataset.set_quaternion
          • NDDataset.sort
          • NDDataset.squeeze
          • NDDataset.std
          • NDDataset.sum
          • NDDataset.swapaxes
          • NDDataset.swapdims
          • NDDataset.take
          • NDDataset.to
          • NDDataset.to_array
          • NDDataset.to_base_units
          • NDDataset.to_reduced_units
          • NDDataset.to_xarray
          • NDDataset.transpose
          • NDDataset.var
          • NDDataset.zeros
          • NDDataset.zeros_like
      • Coordinates-related objects
        • spectrochempy.Coord
          • Coord
        • spectrochempy.CoordSet
          • CoordSet
    • Creating NDDataset
      • Basic creation methods
        • spectrochempy.empty
          • empty
        • spectrochempy.zeros
          • zeros
        • spectrochempy.ones
          • ones
        • spectrochempy.full
          • full
        • spectrochempy.empty_like
          • empty_like
        • spectrochempy.zeros_like
          • zeros_like
        • spectrochempy.ones_like
          • ones_like
        • spectrochempy.full_like
          • full_like
        • spectrochempy.eye
          • eye
        • spectrochempy.identity
          • identity
        • spectrochempy.random
          • random
        • spectrochempy.diag
          • diag
      • Creation from existing data
        • spectrochempy.fromfunction
          • fromfunction
        • spectrochempy.fromiter
          • fromiter
      • Creation from numerical ranges
        • spectrochempy.arange
          • arange
        • spectrochempy.linspace
          • linspace
        • spectrochempy.logspace
          • logspace
        • spectrochempy.geomspace
          • geomspace
      • Select data in a NDDataset
        • spectrochempy.take
          • take
    • Import/export
      • Import a NDataset from external source
        • spectrochempy.load
          • load
        • spectrochempy.read
          • read
          • Examples using spectrochempy.read
        • spectrochempy.read_carroucell
          • read_carroucell
        • spectrochempy.read_csv
          • read_csv
        • spectrochempy.read_ddr
          • read_ddr
        • spectrochempy.read_dir
          • read_dir
        • spectrochempy.read_hdr
          • read_hdr
        • spectrochempy.read_jcamp
          • read_jcamp
        • spectrochempy.read_labspec
          • read_labspec
          • Examples using spectrochempy.read_labspec
        • spectrochempy.read_wire
          • read_wire
          • Examples using spectrochempy.read_wire
        • spectrochempy.read_wdf
          • read_wdf
          • Examples using spectrochempy.read_wdf
        • spectrochempy.read_mat
          • read_mat
        • spectrochempy.read_matlab
          • read_matlab
          • Examples using spectrochempy.read_matlab
        • spectrochempy.read_omnic
          • read_omnic
          • Examples using spectrochempy.read_omnic
        • spectrochempy.read_opus
          • read_opus
          • Examples using spectrochempy.read_opus
        • spectrochempy.read_quadera
          • read_quadera
        • spectrochempy.read_sdr
          • read_sdr
        • spectrochempy.read_soc
          • read_soc
        • spectrochempy.read_spa
          • read_spa
        • spectrochempy.read_spc
          • read_spc
        • spectrochempy.read_spg
          • read_spg
        • spectrochempy.read_srs
          • read_srs
        • spectrochempy.read_topspin
          • read_topspin
          • Examples using spectrochempy.read_topspin
        • spectrochempy.read_zip
          • read_zip
        • spectrochempy.read_carroucell
          • read_carroucell
        • spectrochempy.load_iris
          • load_iris
          • Examples using spectrochempy.load_iris
        • spectrochempy.download_nist_ir
          • download_nist_ir
      • Export a NDDataset
        • spectrochempy.NDDataset.save
        • spectrochempy.NDDataset.save_as
        • spectrochempy.write
          • write
          • Examples using spectrochempy.write
        • spectrochempy.write_csv
          • write_csv
        • spectrochempy.write_excel
          • write_excel
        • spectrochempy.write_jcamp
          • write_jcamp
        • spectrochempy.write_mat
          • write_mat
        • spectrochempy.write_matlab
          • write_matlab
        • spectrochempy.write_xls
          • write_xls
        • spectrochempy.to_array
          • to_array
        • spectrochempy.to_xarray
          • to_xarray
    • Plotting
      • spectrochempy.plot
        • plot
        • Examples using spectrochempy.plot
      • spectrochempy.plot_1D
        • plot_1D
      • spectrochempy.plot_pen
        • plot_pen
      • spectrochempy.plot_scatter
        • plot_scatter
      • spectrochempy.plot_scatter_pen
        • plot_scatter_pen
      • spectrochempy.plot_with_transposed
        • plot_with_transposed
      • spectrochempy.plot_bar
        • plot_bar
      • spectrochempy.plot_2D
        • plot_2D
      • spectrochempy.plot_map
        • plot_map
      • spectrochempy.plot_stack
        • plot_stack
        • Examples using spectrochempy.plot_stack
      • spectrochempy.plot_image
        • plot_image
      • spectrochempy.plot_3D
        • plot_3D
      • spectrochempy.plot_surface
        • plot_surface
      • spectrochempy.plot_waterfall
        • plot_waterfall
      • spectrochempy.plot_multiple
        • plot_multiple
        • Examples using spectrochempy.plot_multiple
      • spectrochempy.multiplot
        • multiplot
      • spectrochempy.multiplot_image
        • multiplot_image
      • spectrochempy.multiplot_lines
        • multiplot_lines
      • spectrochempy.multiplot_map
        • multiplot_map
      • spectrochempy.multiplot_scatter
        • multiplot_scatter
      • spectrochempy.multiplot_stack
        • multiplot_stack
      • spectrochempy.multiplot_with_transposed
        • multiplot_with_transposed
      • spectrochempy.show
        • show
        • Examples using spectrochempy.show
    • Processing
      • Transpose-like operations
        • spectrochempy.transpose
          • transpose
        • spectrochempy.swapdims
          • swapdims
      • Changing number of dimensions
        • spectrochempy.squeeze
          • squeeze
      • Changing type
        • spectrochempy.set_complex
          • set_complex
      • Joining or splitting datasets
        • spectrochempy.concatenate
          • concatenate
          • Examples using spectrochempy.concatenate
        • spectrochempy.stack
          • stack
      • Indexing
        • spectrochempy.diag
          • diag
        • spectrochempy.diagonal
          • diagonal
        • spectrochempy.take
          • take
      • Sorting
        • spectrochempy.sort
          • sort
          • Examples using spectrochempy.sort
      • Minimum and maximum
        • spectrochempy.argmin
          • argmin
        • spectrochempy.argmax
          • argmax
        • spectrochempy.coordmin
          • coordmin
        • spectrochempy.coordmax
          • coordmax
        • spectrochempy.amin
          • amin
        • spectrochempy.amax
          • amax
        • spectrochempy.min
          • min
        • spectrochempy.max
          • max
        • spectrochempy.ptp
          • ptp
      • Clipping and rounding
        • spectrochempy.clip
          • clip
        • spectrochempy.around
          • around
        • spectrochempy.round
          • round
      • Algebra
        • spectrochempy.dot
          • dot
          • Examples using spectrochempy.dot
        • spectrochempy.SVD
          • SVD
        • spectrochempy.LSTSQ
          • LSTSQ
        • spectrochempy.NNLS
          • NNLS
      • Logic functions
        • spectrochempy.all
          • all
        • spectrochempy.any
          • any
      • Sums, integal, difference
        • spectrochempy.sum
          • sum
        • spectrochempy.cumsum
          • cumsum
        • spectrochempy.trapezoid
          • trapezoid
        • spectrochempy.simpson
          • simpson
      • Complex
        • spectrochempy.conj
          • conj
        • spectrochempy.conjugate
          • conjugate
        • spectrochempy.abs
          • abs
        • spectrochempy.absolute
          • absolute
      • Masks
        • spectrochempy.remove_masks
          • remove_masks
      • Units manipulation
        • spectrochempy.Unit
          • Unit
        • spectrochempy.Quantity
          • Quantity
        • spectrochempy.to
          • to
        • spectrochempy.to_base_units
          • to_base_units
        • spectrochempy.to_reduced_units
          • to_reduced_units
        • spectrochempy.ito
          • ito
        • spectrochempy.ito_base_units
          • ito_base_units
        • spectrochempy.ito_reduced_units
          • ito_reduced_units
        • spectrochempy.is_units_compatible
          • is_units_compatible
        • spectrochempy.set_nmr_context
          • set_nmr_context
      • Mathematical operations
        • spectrochempy.mc
          • mc
        • spectrochempy.ps
          • ps
      • Statistical operations
        • spectrochempy.mean
          • mean
        • spectrochempy.average
          • average
        • spectrochempy.std
          • std
        • spectrochempy.sum
          • sum
        • spectrochempy.var
          • var
      • Baseline correction
        • spectrochempy.Baseline
          • Baseline
        • spectrochempy.autosub
          • autosub
        • spectrochempy.get_baseline
          • get_baseline
        • spectrochempy.basc
          • basc
        • spectrochempy.detrend
          • detrend
          • Examples using spectrochempy.detrend
        • spectrochempy.asls
          • asls
        • spectrochempy.snip
          • snip
          • Examples using spectrochempy.snip
      • Fourier transform
        • spectrochempy.fft
          • fft
          • Examples using spectrochempy.fft
        • spectrochempy.ifft
          • ifft
        • spectrochempy.ht
          • ht
        • spectrochempy.fsh
          • fsh
        • spectrochempy.fsh2
          • fsh2
      • Phasing
        • spectrochempy.pk
          • pk
          • Examples using spectrochempy.pk
        • spectrochempy.pk_exp
          • pk_exp
      • Time-domain processing
        • Offset correction
          • spectrochempy.dc
        • Zero-filling
          • spectrochempy.zf
          • spectrochempy.zf_auto
          • spectrochempy.zf_double
          • spectrochempy.zf_size
        • Rolling
          • spectrochempy.cs
          • spectrochempy.ls
          • spectrochempy.roll
          • spectrochempy.rs
        • Apodization
          • spectrochempy.bartlett
          • spectrochempy.blackmanharris
          • spectrochempy.hamming
          • spectrochempy.general_hamming
          • spectrochempy.hann
          • spectrochempy.triang
          • spectrochempy.em
          • spectrochempy.gm
          • spectrochempy.sp
          • spectrochempy.sine
          • spectrochempy.qsin
          • spectrochempy.sinm
      • Smoothing, filtering, denoising
        • spectrochempy.Filter
          • Filter
        • spectrochempy.savgol
          • savgol
        • spectrochempy.smooth
          • smooth
        • spectrochempy.whittaker
          • whittaker
        • spectrochempy.denoise
          • denoise
          • Examples using spectrochempy.denoise
        • spectrochempy.despike
          • despike
          • Examples using spectrochempy.despike
      • Alignment, interpolation
        • spectrochempy.align
          • align
        • spectrochempy.interpolate
          • interpolate
      • Miscellaneous
        • spectrochempy.pipe
          • pipe
    • Analysis
      • Linear regression
        • spectrochempy.LSTSQ
          • LSTSQ
        • spectrochempy.NNLS
          • NNLS
      • Non-linear optimization and curve fit
        • spectrochempy.Optimize
          • Optimize
      • Partial Least Square regression
        • spectrochempy.PLSRegression
          • PLSRegression
      • Evolving factor analysis
        • spectrochempy.EFA
          • EFA
      • Integral inversion solver for spectroscopic data
        • spectrochempy.IRIS
          • IRIS
        • spectrochempy.IrisKernel
          • IrisKernel
      • Multivariate Curve Resolution - Alternating Least Squares
        • spectrochempy.MCRALS
          • MCRALS
      • Independant Component Analysis
        • spectrochempy.FastICA
          • FastICA
      • Non-Negative Matrix Factorization
        • spectrochempy.NMF
          • NMF
      • Singular value decomposition and Principal component analysis
        • spectrochempy.PCA
          • PCA
        • spectrochempy.SVD
          • SVD
      • SIMPLe to use Interactive Self-modeling Mixture Analysis
        • spectrochempy.SIMPLISMA
          • SIMPLISMA
      • Utilities
        • Lineshape models
          • spectrochempy.gaussianmodel
          • spectrochempy.lorentzianmodel
          • spectrochempy.voigtmodel
          • spectrochempy.asymmetricvoigtmodel
          • spectrochempy.sigmoidmodel
          • spectrochempy.polynomialbaseline
        • Find peaks
          • spectrochempy.find_peaks
        • Kinetic
          • spectrochempy.ActionMassKinetics
          • spectrochempy.PFR
    • Project management
      • spectrochempy.Project
        • Project
          • Project.allitems
          • Project.allnames
          • Project.datasets
          • Project.datasets_names
          • Project.filename
          • Project.filetype
          • Project.id
          • Project.meta
          • Project.name
          • Project.parent
          • Project.projects
          • Project.projects_names
          • Project.scripts
          • Project.scripts_names
          • Project.suffix
          • Project.add_dataset
          • Project.add_datasets
          • Project.add_project
          • Project.add_projects
          • Project.add_script
          • Project.add_scripts
          • Project.copy
          • Project.dump
          • Project.load
          • Project.loads
          • Project.remove_all_dataset
          • Project.remove_all_project
          • Project.remove_dataset
          • Project.remove_project
          • Project.save
          • Project.save_as
    • Scripting
      • spectrochempy.Script
        • Script
      • spectrochempy.run_script
        • run_script
        • Examples using spectrochempy.run_script
      • spectrochempy.run_all_scripts
        • run_all_scripts
    • Utilities
      • Logging
        • spectrochempy.set_loglevel
          • set_loglevel
          • Examples using spectrochempy.set_loglevel
        • spectrochempy.get_loglevel
          • get_loglevel
        • spectrochempy.debug_
          • debug_
        • spectrochempy.info_
          • info_
          • Examples using spectrochempy.info_
        • spectrochempy.warning_
          • warning_
        • spectrochempy.error_
          • error_
          • Examples using spectrochempy.error_
      • Misc
        • spectrochempy.show_versions
          • show_versions
      • File
        • spectrochempy.pathclean
          • pathclean
  • Glossary
  • Bibliography
  • Papers citing SpectroChemPy
    • 2025
    • 2024
    • 2023
    • 2022
    • 2021

🛠️ Contribute

  • Bug reports & feature request
  • Sharing examples & tutorials
  • Developer’s Guide
    • Contributing to SpectroChemPy
      • General Principles
      • Getting Started with Development
        • Version Control Setup
        • Setting Up Your Development Environment
        • Making Changes
        • Maintaining Your PR
        • Tips for Success
    • Contributing to the code
      • Code standards
      • Pre-commit
      • Optional dependencies
        • Python (PEP8 / ruff)
        • Backwards compatibility
      • Testing with continuous integration
      • Test-driven development/code writing
        • Writing tests
        • Using pytest
      • Running the test suite
      • Documenting change log
    • Contributing to specific parts of the code
      • Adding a Reader
        • Step 1: Add Tests and Sample Files
        • Step 2: Register the File Format
        • Step 3: Create the Reader Module
        • Step 4: Data Format Guidelines
        • Step 5: Documentation
    • Contributing to Documentation
      • Documentation Structure
      • Documentation Sources
        • API Documentation
        • Guides & Tutorials
      • Building Documentation
        • Quick Start
        • Build Options
      • Writing Tips

✨ Credits

  • Contributors
  • Third-party Licenses
  • Citing SpectroChemPy
  • SpectroChempy License
  • Other Licenses
  • See also
SpectroChemPy v0.8.0
  • Developer’s Guide
  • Contributing to specific parts of the code
Previous Next

Contributing to specific parts of the code

  • Adding a Reader
    • Step 1: Add Tests and Sample Files
    • Step 2: Register the File Format
    • Step 3: Create the Reader Module
    • Step 4: Data Format Guidelines
    • Step 5: Documentation
Previous Next

© Copyright 2014-2025 - A.Travert & C.Fernandez @ LCS. Last updated on Mar 20, 2025.