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Scaling dials#134

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YooSunYoung merged 33 commits intomainfrom
scaling_dials
Apr 7, 2025
Merged

Scaling dials#134
YooSunYoung merged 33 commits intomainfrom
scaling_dials

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@aaronfinke
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  • added pyscale support for DIALS files directly instead of having to output as mtz
  • manually inputting tof bins/max probabilities so it doesn't have to run through datasets twice;
  • I have "trimmed" the mcstas output to make the nexus files smaller (much smaller, like 70%), but the relevant data is in a different form ( (n,6) array vs (n,3) ) so it tries one form and if it fails, runs the other

YooSunYoung and others added 27 commits March 4, 2025 13:06
Co-authored-by: Simon Heybrock <12912489+SimonHeybrock@users.noreply.github.com>
* Separate metatadata from event data for easy export.

* Add raw data metadata retrieval part.

* Lauetof export interface.

* Raw data metadata as dataclass

* Allow arbitrary metadata and export time of flight from the coordinate.

* Separate metatadata from event data for easy export.

* Add raw data metadata retrieval part.

* Satety check in the export function.

* Add warning filter.

* Apply automatic formatting

* Apply automatic formatting

* Fix typo

* Move functions to more proper module.

* Lauetof export interface.

* Raw data metadata as dataclass

* Allow arbitrary metadata and export time of flight from the coordinate.

* Specify unit

Co-authored-by: Simon Heybrock <12912489+SimonHeybrock@users.noreply.github.com>

* Add docstring to export methods.

* Add missing attributes.

* Remove comments

* Fix typo.

* Apply automatic formatting

---------

Co-authored-by: pre-commit-ci-lite[bot] <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com>
Co-authored-by: Simon Heybrock <12912489+SimonHeybrock@users.noreply.github.com>
* remove all zero lines, not just the first one

* Apply automatic formatting

* Update src/ess/nmx/mcstas/load.py

* Apply automatic formatting

---------

Co-authored-by: Aaron Finke <aaron.finke@ess.eu>
Co-authored-by: pre-commit-ci-lite[bot] <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com>
Co-authored-by: Sunyoung Yoo <luysunyoung9@gmail.com>
Co-authored-by: Mridul Seth <mail@mriduls.com>
…#125)

* add bitshuffle support, compress binned datasets using bitshuffle/LZ4

* Apply automatic formatting

* Add docstring and option.

---------

Co-authored-by: Aaron Finke <aaron.finke@ess.eu>
Co-authored-by: pre-commit-ci-lite[bot] <117423508+pre-commit-ci-lite[bot]@users.noreply.github.com>
Co-authored-by: YooSunyoung <luysunyoung9@gmail.com>
@aaronfinke aaronfinke requested a review from YooSunYoung March 28, 2025 14:37
@YooSunYoung YooSunYoung mentioned this pull request Apr 4, 2025
@YooSunYoung YooSunYoung mentioned this pull request Apr 7, 2025
Comment thread src/ess/nmx/dials_io.py
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This file has a lot of duplication from mtz_io module but I'll just merge it for now to make the further refactoring easier.

@YooSunYoung YooSunYoung merged commit 016b5ea into main Apr 7, 2025
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@YooSunYoung YooSunYoung deleted the scaling_dials branch April 7, 2025 11:15
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2 participants