Releases: gbouvignies/ChemEx
v2024.09.25
What's Changed
- Negative AIC? by @gbouvignies in #247
- Bump eslint-plugin-react from 7.34.2 to 7.34.3 in /website by @dependabot in #251
- Bump prettier from 3.3.2 to 3.3.3 in /website by @dependabot in #253
- Bump eslint-plugin-react from 7.34.3 to 7.34.4 in /website by @dependabot in #254
- Bump eslint-plugin-react from 7.34.4 to 7.35.0 in /website by @dependabot in #256
- Bump eslint from 8.57.0 to 9.9.0 in /website by @dependabot in #261
- Bump @docusaurus/module-type-aliases from 3.4.0 to 3.5.2 in /website by @dependabot in #263
- Bump @docusaurus/types from 3.4.0 to 3.5.2 in /website by @dependabot in #265
- Bump @docusaurus/core from 3.4.0 to 3.5.2 in /website by @dependabot in #264
- Bump @docusaurus/preset-classic from 3.4.0 to 3.5.2 in /website by @dependabot in #266
- Bump rehype-katex from 7.0.0 to 7.0.1 in /website by @dependabot in #267
- Bump eslint from 9.9.0 to 9.9.1 in /website by @dependabot in #268
- Bump webpack from 5.92.0 to 5.94.0 in /website by @dependabot in #270
- Bump eslint from 9.9.1 to 9.11.1 in /website by @dependabot in #280
- Bump body-parser and express in /website by @dependabot in #279
- Bump send and express in /website by @dependabot in #278
- Bump serve-static and express in /website by @dependabot in #277
- Bump prism-react-renderer from 2.3.1 to 2.4.0 in /website by @dependabot in #272
- Add the
cs_evolution_prior
flag to CEST and CPMG experiments by @gbouvignies in #281
Full Changelog: v2024.05.3...v2024.09.25
v2024.07.31-alpha.1
What's Changed
Features
-
Add new R1rho experiments (WIP)
- Implement two R1rho calculation methods:
wip.relaxation_15n_r1rho_eig
: Uses smallest real eigenvaluewip.relaxation_15n_r1rho
: Simulates magnetization tilt and spin lock
- Place new experiments in
experiments.catalog.wip
- Update experiment loader to register all plugins
Note: Work in progress, further refinements expected
- Implement two R1rho calculation methods:
Improvements
- Address negative AIC issue (@gbouvignies in #247)
Dependencies
- Bump eslint-plugin-react from 7.34.2 to 7.34.4 in /website (@dependabot in #251, #254)
- Bump prettier from 3.3.2 to 3.3.3 in /website (@dependabot in #253)
Full Changelog: v2024.05.3...v2024.07.31-alpha.1
v2024.05.3
What's Changed
- Fitting errors in Chemex v2024.05.2 with MC and BS syntaxes (Error #2) by @gbouvignies in #245
Full Changelog: v2024.05.2...v2024.05.3
v2024.05.2
What's Changed
- Freezing observed when changing the parameter
sw
in the modulepick_cest
by @gbouvignies in #237
Full Changelog: v2024.05.1...v2024.05.2
v2024.05.1
What's Changed
- ImportError in ChemEx with Matplotlib 3.9 by @gbouvignies in #234
Full Changelog: v2024.05.0...v2024.05.1
v2024.5.0
What's Changed
- Bump @mdx-js/react from 3.0.0 to 3.0.1 in /website by @dependabot in #202
- Bump eslint from 8.56.0 to 8.57.0 in /website by @dependabot in #205
- Bump follow-redirects from 1.15.4 to 1.15.6 in /website by @dependabot in #207
- Bump eslint-plugin-react from 7.33.2 to 7.34.1 in /website by @dependabot in #208
- Bump webpack-dev-middleware from 5.3.3 to 5.3.4 in /website by @dependabot in #213
- Bump express from 4.18.2 to 4.19.2 in /website by @dependabot in #214
- Bump katex from 0.16.9 to 0.16.10 in /website by @dependabot in #215
- Bump @docusaurus/preset-classic from 3.1.1 to 3.2.1 in /website by @dependabot in #219
- Bump peaceiris/actions-gh-pages from 3 to 4 by @dependabot in #221
- Fix pick_cest program launch issue (Fixes #229) by @gbouvignies in #231
- Bump @docusaurus/types from 3.2.1 to 3.3.2 in /website by @dependabot in #227
- Bump react from 18.2.0 to 18.3.1 in /website by @dependabot in #226
- Bump clsx from 2.1.0 to 2.1.1 in /website by @dependabot in #224
- Bump react-dom from 18.2.0 to 18.3.1 in /website by @dependabot in #225
Full Changelog: v2024.02.16...v2024.05.0
v2024.02.16
What's Changed
- Update spin system in cpmg_13co_ap.py by @gbouvignies in #203
Full Changelog: v2024.02.11...v2024.02.16
v2024.02.11
What's Changed
- Increased minimum required Python version to 3.11.
- Cleaned the package dependencies
- Bump prettier from 3.2.4 to 3.2.5 in /website by @dependabot in #197
Full Changelog: v2024.02.09...v2024.02.11
v2024.02.09
What's Changed
- Bump follow-redirects from 1.15.3 to 1.15.4 in /website by @dependabot in #188
- Bump prettier from 3.1.1 to 3.2.2 in /website by @dependabot in #189
- Bump prettier from 3.2.2 to 3.2.4 in /website by @dependabot in #190
- Bump @docusaurus/preset-classic from 3.1.0 to 3.1.1 in /website by @dependabot in #191
- Resolve Pydantic v2 Error with SpinSystem Integration by @gbouvignies in #198
- Ensure UTF-8 encoding for all file write operations by @gbouvignies in #199
Full Changelog: v2024.01.0...v2024.02.09
v2024.01.0
What's Changed
-
Add an option for per profile error estimation
Add the option "global_error" in the section "[data]" of the experiment
configuration file. When set to "True" the error is estimated using all
the profiles in the dataset. When set to "False" the error is estimated
on a per profile basis. This is defaulted to "True". -
Bump prettier from 3.1.0 to 3.1.1 in /website by @dependabot in #182
-
Bump actions/setup-python from 4 to 5 by @dependabot in #183
-
Bump eslint from 8.55.0 to 8.56.0 in /website by @dependabot in #184
-
Bump prism-react-renderer from 2.3.0 to 2.3.1 in /website by @dependabot in #185
-
Bump clsx from 2.0.0 to 2.1.0 in /website by @dependabot in #186
Full Changelog: v2023.12.0...v2024.01.0