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Recent Releases of ramanchada2

ramanchada2 - v1.3.0

What's Changed

  • ADD rc2.spectrum.from_stream by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/164
  • Add support for Princeton Instruments SPE file format by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/168
  • Add convertion script for Thermo Nicolet spa and spg files by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/169
  • Drop NaNs in text files by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/170
  • Drop NaNs from spectrum by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/171
  • ADD Neon lines for 514 nm systems by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/172
  • Bugfix by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/173
  • 159 twinning protocol implementation by @vedina in https://github.com/h2020charisma/ramanchada2/pull/167
  • Xy calibration goodies2 by @vedina in https://github.com/h2020charisma/ramanchada2/pull/176
  • Alternative Ne/Si calibration by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/182
  • Improve argmin2d-based calibration. Example added by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/183
  • Add boundcenters in fitpeaks by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/185
  • handle None as metadata. More tests by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/186
  • ADD sslcsvconverter as a standalone executable by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/187
  • Fix ngs metadata None by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/189
  • Add support for SPC multidimentional maps by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/191
  • Add docstrings to calib_gg functions and their dependencies by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/193
  • Bugfix and tests by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/194
  • tox: add quick testing environment by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/195
  • multiple updates , use position instead of center, nexusformat notebook by @vedina in https://github.com/h2020charisma/ramanchada2/pull/192
  • Custom meta names in hdrfrommulti_exposure by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/197
  • Support for TSV file format by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/200
  • Add skewed profiles; Extend Ne reference data by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/190
  • extract theoreticalline and gaussiannoise generation in separate functions by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/204
  • ops: switch python to 3.13 by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/206
  • Visual4paper by @vedina in https://github.com/h2020charisma/ramanchada2/pull/205
  • Add support for dpt filetype by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/208
  • ops: bump version to 1.3.0 by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/209

Full Changelog: https://github.com/h2020charisma/ramanchada2/compare/v1.2.0...v1.3.0

- Python
Published by kerberizer 12 months ago

ramanchada2 - v1.2.0

What's Changed

  • Zenodo badge, resolves #151 by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/153
  • Calibration updates by @vedina in https://github.com/h2020charisma/ramanchada2/pull/155
  • Add docstrings to Spectrum methods by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/156
  • Fix the issue with the theoretical spectra by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/158
  • 154 normalize with l1 and l2 fails (bugfix) by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/160
  • Remove extrapolation from resample_spline by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/161
  • docs: add decorated functions list by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/162
  • ops: Zenodo metadata by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/163

Full Changelog: https://github.com/h2020charisma/ramanchada2/compare/v1.1.0...v1.2.0

- Python
Published by kerberizer over 1 year ago

ramanchada2 - v1.1.0

What's Changed

  • ops: retire the requirements{,-dev}.txt files by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/138
  • Fix a bug in resample_NUDFT and add tests by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/139
  • fix missing returns and .json -> .modeldumpjson by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/141
  • Fix a problem with FitPeaksResult.todataframepeaks by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/143
  • ops: pin actions by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/145
  • Added xerr and yerr setters by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/144
  • Bump pypa/gh-action-pypi-publish from 1.10.0 to 1.10.1 by @dependabot in https://github.com/h2020charisma/ramanchada2/pull/149
  • Bump py-cov-action/python-coverage-comment-action from 3.27 to 3.28 by @dependabot in https://github.com/h2020charisma/ramanchada2/pull/150
  • Implement spline based resampling; Implement L1 L2 norms by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/148

Full Changelog: https://github.com/h2020charisma/ramanchada2/compare/v1.0.0...v1.1.0

- Python
Published by kerberizer over 1 year ago

ramanchada2 - v1.0.0

What's Changed

  • Migrate to numpy 2 by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/128
  • Fix problem with x-axis on rruf files by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/133
  • Improve text file input parsers by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/134
  • Pydantic2 migration by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/136

Full Changelog: https://github.com/h2020charisma/ramanchada2/compare/v0.1.3...v1.0.0

- Python
Published by kerberizer over 1 year ago

ramanchada2 - v0.1.3

What's Changed

  • ops: pin deps versions and improve quick start by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/129

Full Changelog: https://github.com/h2020charisma/ramanchada2/compare/v0.1.2...v0.1.3

- Python
Published by kerberizer over 1 year ago

ramanchada2 - v0.1.2

What's Changed

  • ops: set up for trusted publishing by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/123
  • fix missing config_certs.json by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/125

Full Changelog: https://github.com/h2020charisma/ramanchada2/compare/v0.1.1...v0.1.2

- Python
Published by kerberizer over 1 year ago

ramanchada2 - v0.1.1

What's Changed

  • y-calibration classes and related updates by @vedina in https://github.com/h2020charisma/ramanchada2/pull/122

Full Changelog: https://github.com/h2020charisma/ramanchada2/compare/v0.1.0...v0.1.1

- Python
Published by kerberizer over 1 year ago

ramanchada2 - v0.1.0

What's Changed

  • comparison between polyharmonic and iterative approch for x-axis calibration by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/104
  • from pyhht to emd library by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/109
  • ops: update tox Python versions by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/110
  • Improvements and bugfixes by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/108
  • Fix pearson4 by @vedina in https://github.com/h2020charisma/ramanchada2/pull/111
  • NeXus file format by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/112
  • documentation updates by @vedina in https://github.com/h2020charisma/ramanchada2/pull/113
  • ignore: add test files by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/114
  • rc1_parser: handle slightly better unsupported file types by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/117
  • ops improvements by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/118
  • docs: switch to Google docstrings by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/115
  • ops: updates to gh actions by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/119

Full Changelog: https://github.com/h2020charisma/ramanchada2/compare/v0.0.10...v0.1.0

- Python
Published by kerberizer almost 2 years ago

ramanchada2 - v0.0.10

What's Changed

  • Pin SciPy to <1.12 for now because of pyhht by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/102

Full Changelog: https://github.com/h2020charisma/ramanchada2/compare/v0.0.9...v0.0.10

- Python
Published by kerberizer about 2 years ago

ramanchada2 - v0.0.9

What's Changed

  • Fix tests by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/97
  • Documentation fixes and improvements by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/96
  • Bump pillow from 9.4.0 to 10.0.1 by @dependabot in https://github.com/h2020charisma/ramanchada2/pull/98
  • Replace opusFC with brukeropusreader by @vedina in https://github.com/h2020charisma/ramanchada2/pull/99

New Contributors

  • @dependabot made their first contribution in https://github.com/h2020charisma/ramanchada2/pull/98

Full Changelog: https://github.com/h2020charisma/ramanchada2/compare/v0.0.8...v0.0.9

- Python
Published by kerberizer about 2 years ago

ramanchada2 - v0.0.8

What's Changed

  • examples/resample_NUDFT.ipynb by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/88
  • Fix a problem with rc2.spectrum.fromtestspe by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/89
  • pin pydantic version to 1.* by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/95
  • Expand the example Jupyter notebooks by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/94

Full Changelog: https://github.com/h2020charisma/ramanchada2/compare/v0.0.7...v0.0.8

- Python
Published by kerberizer over 2 years ago

ramanchada2 - v0.0.7

What's Changed

  • stop fitting on request / metadata modifications by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/87

Full Changelog: https://github.com/h2020charisma/ramanchada2/compare/v0.0.6...v0.0.7

- Python
Published by georgievgeorgi almost 3 years ago

ramanchada2 - v0.0.6

What's Changed

  • merge multiple spectra with different exposures by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/86

Full Changelog: https://github.com/h2020charisma/ramanchada2/compare/v0.0.5...v0.0.6

- Python
Published by georgievgeorgi almost 3 years ago

ramanchada2 - v0.0.5

What's Changed

  • ops: conda: opusFC requires python<=3.10 by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/82
  • Polyharmonic spline for x-axis calibration by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/84

Full Changelog: https://github.com/h2020charisma/ramanchada2/compare/v0.0.4...v0.0.5

- Python
Published by georgievgeorgi almost 3 years ago

ramanchada2 - v0.0.4

What's Changed

  • add_gaussian_noise method added by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/76
  • New calculation for y_noise by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/77
  • Fix problem with test_spectra by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/78
  • Fix fitting problems by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/80

Full Changelog: https://github.com/h2020charisma/ramanchada2/compare/v0.0.3...v0.0.4

- Python
Published by georgievgeorgi almost 3 years ago

ramanchada2 - v0.0.3

What's Changed

  • aux -> auxiliary by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/61
  • Solves #64 - a bug in rc2.spectrum.from_delta_lines by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/65
  • update copyright years by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/70
  • adopt ramanchada1 parser by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/68
  • v0.0.3 by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/71

Full Changelog: https://github.com/h2020charisma/ramanchada2/compare/v0.0.2...v0.0.3

- Python
Published by georgievgeorgi almost 3 years ago

ramanchada2 - Version 0.0.2

What's Changed

  • Add information how to use virtualenv on windows by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/53
  • Recover spikes xcalib gg by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/54
  • use fixed rng seeds in tests by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/56
  • not completely production level yet by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/52
  • require python>=3.9 and test spectra added by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/55
  • Update requirements.txt by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/57
  • simplify README.pypi for easier maintenance by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/58
  • v0.0.2 by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/59

Full Changelog: https://github.com/h2020charisma/ramanchada2/compare/v0.0.1...v0.0.2

- Python
Published by georgievgeorgi almost 3 years ago

ramanchada2 - Version 0.0.1

What's Changed

  • Add placeholders for build and deploy-docs workflows by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/1
  • A simple test + github workflows by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/3
  • Proto v2 gg by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/4
  • Devel cache gg by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/5
  • ramancha2 documentation by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/6
  • add LICENSE by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/9
  • Model from list gg by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/10
  • syntethic spectrum generation by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/11
  • central moments and arbitrary function as baseline by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/12
  • Update README.md by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/13
  • Add quick example for composite model fitting by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/14
  • Devel gg by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/15
  • update to work with remote hsds service by @vedina in https://github.com/h2020charisma/ramanchada2/pull/16
  • Set default tox python version to py3.9 by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/22
  • change default version for docs by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/23
  • export fit results to pandas.DataFrame by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/24
  • Processing experiments by @vedina in https://github.com/h2020charisma/ramanchada2/pull/20
  • Trim spectrum axes by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/25
  • Devel gg by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/26
  • Bayesian as init guess by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/27
  • Fix for oppositely sorted x-axis by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/28
  • Devel gg by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/32
  • modify unity normalization and add unity_continuous by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/33
  • Generate spectrum from vasp and crystal simulation data by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/34
  • h5pyd not a direct dependency by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/35
  • Simulation raw .dat files by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/36
  • Spectrum sharpening by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/37
  • Fix scikit dependency and some mypy warnings by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/39
  • Implement filters gg by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/42
  • Fixes by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/43
  • Sharp candidates gg by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/44
  • Ignore VisualStudio files by @lellid in https://github.com/h2020charisma/ramanchada2/pull/45
  • Fix find peaks by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/46
  • Doc update by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/47
  • add charisma in license by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/49
  • Add SNIP and ALS algorithms from ramanchada by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/48
  • x-axis fine calibration by @georgievgeorgi in https://github.com/h2020charisma/ramanchada2/pull/50
  • ops: prepare for PyPI by @kerberizer in https://github.com/h2020charisma/ramanchada2/pull/51

New Contributors

  • @vedina made their first contribution in https://github.com/h2020charisma/ramanchada2/pull/16
  • @lellid made their first contribution in https://github.com/h2020charisma/ramanchada2/pull/45

Full Changelog: https://github.com/h2020charisma/ramanchada2/commits/v0.0.1

- Python
Published by kerberizer about 3 years ago