Data

Tools

Indexes

Applications

Experiments

Open Source Science

Recent Releases of Spectra

Spectra - v2.0.2

Spectra v2.0.2

Diff since v2.0.1

  • pull request #37: Fix the use of ## and # in the documentation examples (thanks @garrekstemo!)

Merged pull requests: - Update correctly News.md (#35) (@charlesll) - Change ## to # in example comments (#37) (@garrekstemo)

Closed issues: - Memory error or something else? (#16) - Function peakmes error: UndefVarError: flipdim not defined in Spectra (#24)

- Julia
Published by github-actions[bot] about 1 year ago

Spectra - v2.0.1

Spectra v2.0.1

Diff since v2.0.0

Merged pull requests: - Try fixing the doc build (#28) (@charlesll) - try instantiate before build... (#29) (@charlesll) - 2.0.0: try making doc build work (#30) (@charlesll) - try adding versions in Project.toml docs (#31) (@charlesll) - Fix import in docs (#32) (@charlesll) - add LaTeXStrings deps (#33) (@charlesll) - Fix some docstrings (#34) (@charlesll)

- Julia
Published by github-actions[bot] about 1 year ago

Spectra - v2.0.0

Spectra v2.0.0

Diff since v1.0.0

Breaking changes

  • v1.0 of Spectra was a wrapper around the Python library rampy. This is not the case anymore, except for the machine learning functions

- many functions were modified to make more sense, and now make use of multiple dispatch

Improvements

  • baseline() was a wrapper of the rampy.baseline function. This created problems. This is now using only Julia code.
  • smooth() entirely re-written using Julia deps and code (leveraging in particular DSP.jl and StagedFilters.jl)
  • The API of nearly all functions was improved, to allow various forms of inputs (multiple dispatch).
  • docstrings and docs revised in depth. Docs are generated by Documenter.jl, examples by Literate.jl.

Additions

  • gaussian(), lorentzian(), pseudovoigt(): peak shapes
  • fit_peaks() : fit a signal with a sum of peaks.
  • FitContext : struct for the context of a fit
  • FitResult : struct for the results of a fit
  • prepare_context() : type to prepares the context of a fit
  • print_params() : print parameters after a fit
  • plot_fit() : plot parameters after a fit
  • getpeakresults() : transform a vector of parameters in to a vector of Named Tuples describing each peak parameters
  • fit_qNewton() : quasi-Newton algorithm for the fit
  • fit_Optim() : Fminxbox(LBFGS) fit with Optim.jl
  • bootstrap() : performs a bootstrapping analysis to get uncertainty estimates on peak parameters.
  • create_peaks(): generate peaks.
  • find_peaks(): detects peaks.
  • area_peaks(): measure peak areas, replace bandarea().
  • correct_xshift(): returns the signal(s) corrected from a given linear shift.
  • baseline functions in Julia: arPLSbaseline, drPLSbaseline, alsbaseline, rubberbandbaseline.
  • extractsignal(): replace getportion_interest().
  • invcmtonm(), nmtoinvcm(): allow conversion of the X axis from nm to inverse cm, or the opposite.

Modifications

  • pearson7(): API changed to match that of gaussian(), lorentzian(), pseudovoigt()

Removed functions

  • bandarea(): replaced by areapeaks(). Moved to src/legacycode.jl
  • xshiftcorrection(): replaced by correctxshift(). moved to src/legacy_code.jl
  • xshiftinversion(): no need. moved to src/legacycode.jl
  • pseudovoigts(), gaussiennes(), lorentziennes() API do not really make sense now that we have createpeaks, so those are removed. moved to src/legacycode.jl. Use create_peaks().
  • bootperf(): removed as it is not compatible with the new API and dependencies. A better function will be added in an upcoming version. Moved to src/legacy_code.jl

Merged pull requests: - Prepare release of 2.0.0 (#25) (@charlesll) - Update readme (#26) (@charlesll) - Add conda depedency (#27) (@charlesll)

Closed issues: - Register v1.0.0 (#19) - TagBot trigger issue (#20) - UnboundLocalError when calling baseline() function (#22) - How to select ROI for raman notebook example? (#23)

- Julia
Published by github-actions[bot] about 1 year ago

Spectra - v1.0.0

What's Changed

  • Create CITATION.bib by @asinghvi17 in https://github.com/charlesll/Spectra.jl/pull/12
  • Install TagBot as a GitHub Action by @JuliaTagBot in https://github.com/charlesll/Spectra.jl/pull/13
  • Update README.md by @besselfunct in https://github.com/charlesll/Spectra.jl/pull/18

New Contributors

  • @asinghvi17 made their first contribution in https://github.com/charlesll/Spectra.jl/pull/12
  • @JuliaTagBot made their first contribution in https://github.com/charlesll/Spectra.jl/pull/13
  • @besselfunct made their first contribution in https://github.com/charlesll/Spectra.jl/pull/18

Full Changelog: https://github.com/charlesll/Spectra.jl/compare/v0.4.2...v1.0.0

- Julia
Published by charlesll about 2 years ago

Spectra - v0.4.2

v0.4.2 (2019-06-04)

Diff since v0.4.1

Closed issues:

  • pycall api updates (#9)

- Julia
Published by julia-tagbot[bot] about 7 years ago

Spectra -

- Julia
Published by charlesll over 7 years ago