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  • What’s New in Revision 0.9.1.dev

🚀 Getting Started

  • 5-minute quickstart
  • Installation guide
    • Installation Guide for Windows
    • Installation Guide for Mac OSX and Linux
    • Install in Google Colaboratory (Colab)
    • Optional Dependencies
    • Installation from Sources
  • Example's gallery
    • Core functionalities
      • 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
        • Reading SPC format 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
        • EFA example
        • EFA (Keller and Massart original example)
        • FastICA example
        • IRIS: 2D-IRIS analysis (plugin)
        • 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
        • 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
      • NMR processing (plugin-based)
        • Analysis CP NMR spectra
        • Processing NMR spectra (slicing, baseline correction, peak picking, peak fitting)
        • Processing Relaxation measurement
        • NMR: reading TopSpin files (plugin)
      • Processing Raman datasets
        • Processing RAMAN spectra
    • Plugin-dependent functionality
      • IRIS plugin
        • IRIS: 2D-IRIS analysis (plugin)
      • NMR plugin
        • Loading of experimental 1D NMR data
        • Exponential window multiplication
        • Sine bell and squared Sine bell window multiplication
        • Analysis CP NMR spectra
        • Processing NMR spectra (slicing, baseline correction, peak picking, peak fitting)
        • Processing Relaxation measurement
        • NMR: reading TopSpin files (plugin)
  • Getting help

📚 User's Guide & Tutorials

  • Introduction
  • Import & Export
    • Import Data in SpectroChemPy
    • Import IR Data
      • Import of OMNIC files
      • Import of Bruker OPUS files
      • Import/Export of JCAMP-DX files
  • Plotting
    • Plotting Overview
    • Customizing a Plot
    • Plotting Preferences
    • Plot Types
    • Styles
    • Advanced Matplotlib Integration
  • Processing
    • Slicing NDDatasets
    • Basic transformations
    • Mathematical operations
    • Filtering, Smoothing and Denoising
    • Baseline corrections
    • Denoising
    • Apodization
    • Time domain baseline correction (NMR)
    • One-dimensional (1D) Fourier transformation
    • Real Fourier transform
    • FTIR interferogram processing
    • Alignment of datasets
  • Analysis
    • Peak Maxima Finding
    • Peak Integration
    • Fitting
    • Principal Component Analysis
    • Partial Least Squares Regression (PLSRegression)
    • MCR ALS
  • Plugins
    • Official plugins
    • NMR plugin
    • Hypercomplex (quaternion) plugin
    • IRIS plugin
    • Experimental plugins
    • Plugin-dependent Examples
    • Plugin roadmap
  • API Configuration
  • Core objects
    • The NDDataset object
    • More insight on coordinates
    • Methods to create NDDataset
    • Project management

🔍 Reference

  • Public API reference
    • spectrochempy.NDDataset
    • spectrochempy.Coord
    • spectrochempy.CoordSet
    • spectrochempy.empty
    • spectrochempy.zeros
    • spectrochempy.ones
    • spectrochempy.full
    • spectrochempy.empty_like
    • spectrochempy.zeros_like
    • spectrochempy.ones_like
    • spectrochempy.full_like
    • spectrochempy.eye
    • spectrochempy.identity
    • spectrochempy.random
    • spectrochempy.diag
    • spectrochempy.fromfunction
    • spectrochempy.fromiter
    • spectrochempy.arange
    • spectrochempy.linspace
    • spectrochempy.logspace
    • spectrochempy.geomspace
    • spectrochempy.take
    • spectrochempy.load
    • spectrochempy.read
    • spectrochempy.read_topspin
    • spectrochempy.read_csv
    • spectrochempy.read_ddr
    • spectrochempy.read_dir
    • spectrochempy.read_hdr
    • spectrochempy.read_jcamp
    • spectrochempy.read_labspec
    • spectrochempy.read_wire
    • spectrochempy.read_wdf
    • spectrochempy.read_mat
    • spectrochempy.read_matlab
    • spectrochempy.read_omnic
    • spectrochempy.read_opus
    • spectrochempy.read_quadera
    • spectrochempy.read_sdr
    • spectrochempy.read_soc
    • spectrochempy.read_spa
    • spectrochempy.read_spc
    • spectrochempy.read_spg
    • spectrochempy.read_srs
    • spectrochempy.load_iris
    • spectrochempy.download_nist_ir
    • spectrochempy.NDDataset.save
    • spectrochempy.NDDataset.save_as
    • spectrochempy.write
    • spectrochempy.write_csv
    • spectrochempy.write_excel
    • spectrochempy.write_jcamp
    • spectrochempy.write_mat
    • spectrochempy.write_matlab
    • spectrochempy.write_xls
    • spectrochempy.to_array
    • spectrochempy.to_xarray
    • spectrochempy.plot
    • spectrochempy.plot_1D
    • spectrochempy.plot_pen
    • spectrochempy.plot_scatter
    • spectrochempy.plot_scatter_pen
    • spectrochempy.plot_with_transposed
    • spectrochempy.plot_bar
    • spectrochempy.plot_2D
    • spectrochempy.plot_contour
    • spectrochempy.plot_contourf
    • spectrochempy.plot_image
    • spectrochempy.plot_lines
    • spectrochempy.plot_map
    • spectrochempy.plot_stack
    • spectrochempy.plot_3D
    • spectrochempy.plot_surface
    • spectrochempy.plot_waterfall
    • spectrochempy.plot_multiple
    • spectrochempy.multiplot
    • spectrochempy.multiplot_contour
    • spectrochempy.multiplot_contourf
    • spectrochempy.multiplot_image
    • spectrochempy.multiplot_lines
    • spectrochempy.multiplot_map
    • spectrochempy.multiplot_scatter
    • spectrochempy.multiplot_stack
    • spectrochempy.multiplot_with_transposed
    • spectrochempy.show
    • spectrochempy.transpose
    • spectrochempy.swapdims
    • spectrochempy.squeeze
    • spectrochempy.set_complex
    • spectrochempy.concatenate
    • spectrochempy.stack
    • spectrochempy.diag
    • spectrochempy.diagonal
    • spectrochempy.take
    • spectrochempy.sort
    • spectrochempy.argmin
    • spectrochempy.argmax
    • spectrochempy.coordmin
    • spectrochempy.coordmax
    • spectrochempy.amin
    • spectrochempy.amax
    • spectrochempy.min
    • spectrochempy.max
    • spectrochempy.ptp
    • spectrochempy.clip
    • spectrochempy.around
    • spectrochempy.round
    • spectrochempy.dot
    • spectrochempy.SVD
    • spectrochempy.LSTSQ
    • spectrochempy.NNLS
    • spectrochempy.all
    • spectrochempy.any
    • spectrochempy.sum
    • spectrochempy.cumsum
    • spectrochempy.trapezoid
    • spectrochempy.simpson
    • spectrochempy.conj
    • spectrochempy.conjugate
    • spectrochempy.abs
    • spectrochempy.absolute
    • spectrochempy.remove_masks
    • spectrochempy.Unit
    • spectrochempy.Quantity
    • spectrochempy.to
    • spectrochempy.to_base_units
    • spectrochempy.to_reduced_units
    • spectrochempy.ito
    • spectrochempy.ito_base_units
    • spectrochempy.ito_reduced_units
    • spectrochempy.is_units_compatible
    • spectrochempy.mc
    • spectrochempy.ps
    • spectrochempy.mean
    • spectrochempy.average
    • spectrochempy.std
    • spectrochempy.sum
    • spectrochempy.var
    • spectrochempy.Baseline
    • spectrochempy.autosub
    • spectrochempy.get_baseline
    • spectrochempy.basc
    • spectrochempy.detrend
    • spectrochempy.asls
    • spectrochempy.snip
    • spectrochempy.fft
    • spectrochempy.ifft
    • spectrochempy.ht
    • spectrochempy.fsh
    • spectrochempy.fsh2
    • spectrochempy.pk
    • spectrochempy.pk_exp
    • spectrochempy.dc
    • spectrochempy.zf
    • spectrochempy.zf_auto
    • spectrochempy.zf_double
    • spectrochempy.zf_size
    • spectrochempy.cs
    • spectrochempy.ls
    • spectrochempy.roll
    • spectrochempy.rs
    • 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
    • spectrochempy.Filter
    • spectrochempy.savgol
    • spectrochempy.smooth
    • spectrochempy.whittaker
    • spectrochempy.denoise
    • spectrochempy.despike
    • spectrochempy.align
    • spectrochempy.interpolate
    • spectrochempy.pipe
    • spectrochempy.LSTSQ
    • spectrochempy.NNLS
    • spectrochempy.Optimize
    • spectrochempy.PLSRegression
    • spectrochempy.EFA
    • spectrochempy.MCRALS
    • spectrochempy.FastICA
    • spectrochempy.NMF
    • spectrochempy.PCA
    • spectrochempy.SVD
    • spectrochempy.SIMPLISMA
    • spectrochempy.CP
    • spectrochempy.PSD
    • spectrochempy.gaussianmodel
    • spectrochempy.lorentzianmodel
    • spectrochempy.voigtmodel
    • spectrochempy.asymmetricvoigtmodel
    • spectrochempy.sigmoidmodel
    • spectrochempy.polynomialbaseline
    • spectrochempy.find_peaks
    • spectrochempy.ActionMassKinetics
    • spectrochempy.PFR
    • spectrochempy.Project
    • spectrochempy.Script
    • spectrochempy.run_script
    • spectrochempy.run_all_scripts
    • spectrochempy.set_loglevel
    • spectrochempy.get_loglevel
    • spectrochempy.debug_
    • spectrochempy.info_
    • spectrochempy.warning_
    • spectrochempy.error_
    • spectrochempy.show_versions
    • spectrochempy.pathclean
  • Glossary
  • Bibliography
  • Papers citing SpectroChemPy

🛠️ Contribute

  • Bug reports & feature request
  • Sharing examples & tutorials
  • Developer’s Guide
    • Contributing to SpectroChemPy
    • Contributing to the code
    • Contributing to specific parts of the code
      • Adding a Reader
    • Contributing to Documentation
    • Plotting Architecture and Lazy Matplotlib Integration
    • Plugin developer
      • Plugin author guide
      • Writing a Plugin
      • Plugin accessors
      • Numeric backends
      • Unit contexts
      • Packaging a Plugin
      • Testing a Plugin
      • Plugin API Policy
      • Official plugin architecture notes
      • Plugin architecture map

✨ Credits

  • Contributors
  • Third-party Licenses
  • Citing SpectroChemPy
  • SpectroChempy License
  • Other Licenses
  • See also
SpectroChemPy v0.9.0
  • Example’s gallery
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Example’s gallery

Many examples on the use of the API can be found in this gallery.

Notebook and standalone python scripts can be downloaded using the link at the bottom of each example.

Please note that the number of examples is currently quite limited. We are actively working to improve this. If you have examples to suggest from your own use of spectrochempy, don’t hesitate to suggest them in the discussions or by creating a pull-request.

Examples

  • Core functionalities
  • Analysis NDDataset
  • Processing NDDataset
  • Plugin-dependent functionality
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© Copyright 2014-2026 Laboratoire Catalyse et Spectrochimie (LCS) — CeCILL-B license. Last updated on May 30, 2026.