Rimseval

Latest version: v2.0.1

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2.0.0

2.0.0.dev7

Major changes:
- Better error handling when calibration `json` file cannot be read
- Better instructions for macos installations in documentation

What's Changed
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/RIMS-Code/RIMSEval/pull/34
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/RIMS-Code/RIMSEval/pull/35
* DOCS: Add instructions remove arguments from macOS app by trappitsch in https://github.com/RIMS-Code/RIMSEval/pull/36
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/RIMS-Code/RIMSEval/pull/37
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/RIMS-Code/RIMSEval/pull/38
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/RIMS-Code/RIMSEval/pull/39
* Run `nox` with new github action by trappitsch in https://github.com/RIMS-Code/RIMSEval/pull/41
* Add a more reasonable error on json cal loading error by trappitsch in https://github.com/RIMS-Code/RIMSEval/pull/40
* 2.0.0.dev6 -> 2.0.0.dev7 by trappitsch in https://github.com/RIMS-Code/RIMSEval/pull/42


**Full Changelog**: https://github.com/RIMS-Code/RIMSEval/compare/v2.0.0.dev6...v2.0.0.dev7

2.0.0.dev6

Major changes
* Allow user to set normalization isotopes for delta values using ``iniabu>=1.1.1``
* Excel workup file creator

Minor improvements
* Better sorting of integrals

What's Changed
* Update pre-commit configuration by trappitsch in https://github.com/RIMS-Code/RIMSEval/pull/28
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/RIMS-Code/RIMSEval/pull/29
* Allow user to select the major isotope for delta values by trappitsch in https://github.com/RIMS-Code/RIMSEval/pull/30
* Improve integral sorting by trappitsch in https://github.com/RIMS-Code/RIMSEval/pull/31
* [pre-commit.ci] pre-commit autoupdate by pre-commit-ci in https://github.com/RIMS-Code/RIMSEval/pull/32
* Excel workup writer by trappitsch in https://github.com/RIMS-Code/RIMSEval/pull/33

New Contributors
* pre-commit-ci made their first contribution in https://github.com/RIMS-Code/RIMSEval/pull/29

**Full Changelog**: https://github.com/RIMS-Code/RIMSEval/compare/v2.0.0.dev5...v2.0.0.dev6

2.0.0.dev5

- Added a GUI to plot the integrals per package if a dataset was split up into packages (to help with detecting bursts)
- Added a `timestamp` property to the `CRDFileProcessor` that gives the user a `datetime.datetime` instance of the recording time of the spectrum

What's Changed
* Add timestamp property to CRDFileProcessor by trappitsch in https://github.com/RIMS-Code/RIMSEval/pull/25
* Add GUI for plotting integrals per package by trappitsch in https://github.com/RIMS-Code/RIMSEval/pull/26
* bump v2.0.0.dev4 -> 2.0.0.dev5 by trappitsch in https://github.com/RIMS-Code/RIMSEval/pull/27


**Full Changelog**: https://github.com/RIMS-Code/RIMSEval/compare/v2.0.0.dev4...v2.0.0.dev5

2.0.0.dev4

Add a `sort_integrals()` function to the `CRDFileProcessor` that sorts integral definitions by mass in ascending order.

What's Changed
* Update PyPi authentication to use API Token by trappitsch in https://github.com/RIMS-Code/RIMSEval/pull/22
* Add method to sort integrals by trappitsch in https://github.com/RIMS-Code/RIMSEval/pull/23
* Bump version to 2.0.0.dev4 by trappitsch in https://github.com/RIMS-Code/RIMSEval/pull/24


**Full Changelog**: https://github.com/RIMS-Code/RIMSEval/compare/v2.0.0.dev3...v2.0.0.dev4

2.0.0.dev3

- Fixed a bug that changed the start time of CRD spectra that do not contain valid bin ranges. This made `LIONEval` produced CRD files move around in time.
- Add capability to calculate delta values for integrals with respect to the major isotope and assuming that the NIST values are the correct ones. This expects the peak names to be compatible with [`iniabu`](https://github.com/galactic-forensics/iniabu).

What's Changed
* BF: Create tof data from arrival bins when bin ranges in header wrong by trappitsch in https://github.com/RIMS-Code/RIMSEval/pull/19
* Add functionality to calculate delta values by trappitsch in https://github.com/RIMS-Code/RIMSEval/pull/20
* bump version 2.0.0.dev2 -> 2.0.0.dev3 by trappitsch in https://github.com/RIMS-Code/RIMSEval/pull/21


**Full Changelog**: https://github.com/RIMS-Code/RIMSEval/compare/v2.0.0.dev2...v2.0.0.dev3

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