search

mantidproject / mantid

Main repository for Mantid code
https://www.mantidproject.org
GNU General Public License v3.0
210 stars 121 forks source link

Estimate powder instrument profile by fitting individual peaks #6864

Closed wdzhou closed 3 years ago

wdzhou commented 11 years ago

This issue was originally TRAC 6018

The parameters of TOF neutron peak profile for powder diffraction, such as Alph0, Alph1, Beta0, Beta1, and etc, can be refined by Back-to-back exponential peak profile parameters (Alpha, Beta, Sigma) of Bragg peaks, which are fitted individually by single peak fitting.

Enable RefinePowderInstrumentParameters() to refine instrument parameters, which are common to all Bragg peaks, from all peaks' peak parameters (alpha, beta, and sigma).

The algorithm to refine parameters against the model will include the Mantid minimizers and a Monte Carlo simulated annealing algorithm.

Delete the early version, RefinePowderInstrumentParameters, and rename RefinePowderInstrumentParameters2 to RefinePowderInstrumentParameters.

wdzhou commented 10 years ago

@wdzhou (2012-11-08T21:49:46): Enhance functionality. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/f4d719fea831e4d6eba8d30fdd8e523f9caba162

@wdzhou (2012-11-27T16:52:54): Add functions related to thermal neutron peak. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/d6a5ecc61bed446dba287e2437f118ae73165a63

@wdzhou (2012-12-06T21:11:00): Enhance functionality. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/f4d719fea831e4d6eba8d30fdd8e523f9caba162

@wdzhou (2012-12-06T21:11:17): Add functions related to thermal neutron peak. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/d6a5ecc61bed446dba287e2437f118ae73165a63

@wdzhou (2012-12-15T04:25:12): Enhance powder data peak fitting. Refs http://trac.mantidproject.org/mantid/ticket/6018.

The code is working, while more tests are requested. https://github.com/mantidproject/mantid/commit/f0694c06cc98a633ebf52571aa453305b8ca3f5e

@wdzhou (2012-12-15T04:25:12): Implement an enhanced algorithm. Refs http://trac.mantidproject.org/mantid/ticket/6018.

Initial implementation of an enhanced version to estimate powder diffratometer's profile parameters. https://github.com/mantidproject/mantid/commit/1aa346d124b9afdca983c324717b446434c60642

@wdzhou (2012-12-31T16:29:55): Remove compiler warning. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/6a2e168f0b9530878d39706c084fa854a68a4b15

@wdzhou (2013-01-09T16:01:32): Enhance powder data peak fitting. Refs http://trac.mantidproject.org/mantid/ticket/6018.

The code is working, while more tests are requested. https://github.com/mantidproject/mantid/commit/4b5c084fd4b824099f4ec7470fa766a9de194d0e

@wdzhou (2013-01-09T16:01:32): Implement an enhanced algorithm. Refs http://trac.mantidproject.org/mantid/ticket/6018.

Initial implementation of an enhanced version to estimate powder diffratometer's profile parameters. https://github.com/mantidproject/mantid/commit/100ad807c272da50c8f6890c38083a5bdd71ad80

@wdzhou (2013-01-09T16:01:41): Remove compiler warning. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/c3bad8d717284308be9627782c706d2a4b686cf1

@wdzhou (2013-01-10T16:07:35): Rename the algorithm. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/6256051d2b61604c7d8748507a540390caea7bab

@wdzhou (2013-01-10T16:07:35): Improve speed. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/7fd70347d9c8e1927b4c06ec2290942462e971d2

@wdzhou (2013-01-10T16:07:35): Add one public function for calculation. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/8d74c6fe293ae5971811aac8b8aaf46db3e615c8

@wdzhou (2013-01-10T16:07:35): Implement public function to calculate. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/c0eb96c187cd9d7a3c05c64f3fe68621ba32673f

@wdzhou (2013-01-10T16:27:21): Rename the algorithm. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/6256051d2b61604c7d8748507a540390caea7bab

@wdzhou (2013-01-10T16:27:21): Improve speed. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/7fd70347d9c8e1927b4c06ec2290942462e971d2

@wdzhou (2013-01-10T16:27:21): Add one public function for calculation. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/8d74c6fe293ae5971811aac8b8aaf46db3e615c8

@wdzhou (2013-01-10T16:27:21): Implement public function to calculate. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/c0eb96c187cd9d7a3c05c64f3fe68621ba32673f

@wdzhou (2013-01-21T18:14:04): Rename the algorithm. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/18692debe74e8bea93aa8084143fbb37cd577ec2

@wdzhou (2013-01-21T18:14:04): Improve speed. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/f3b63e03b11aefc7ab1a24f51000d3deaa1be03d

@wdzhou (2013-01-21T18:14:04): Add one public function for calculation. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/a7778db8ee75739a99b1f8becf6ca52410af2d73

@wdzhou (2013-01-21T18:14:04): Implement public function to calculate. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/9d9f229dd396d1cb086cfbc0ea3398e5c861cd81

@wdzhou (2013-01-23T21:30:01): Add RefinePowderInstrumentParameters2. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/f6da12a71f6d733cd688f2494ddc31bcec10ea52

@wdzhou (2013-01-23T21:30:02): Take RefinePowderInstrumentParameters out of unit test. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/9e82b96e8a2369031c264fb462c76418b766eaf0

@wdzhou (2013-01-23T21:30:02): Add simulated annealing. Refs http://trac.mantidproject.org/mantid/ticket/6018."

Add simulated annealing algorithm to algorithm. Make it version 2 to replace previous version 1. https://github.com/mantidproject/mantid/commit/e400fc2ab8a9542e4b7074ceccb527d88009099e

@wdzhou (2013-01-23T21:30:03): Fix the version issue. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/42a25faf184049108f6386d2edd68f62d9448251

@wdzhou (2013-01-23T21:30:03): Add unit tests. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/c0af0425e063ac1566c2a812f4d367772c43c2a2

@wdzhou (2013-03-14T01:58:55): Fix doxygen. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/79d9e8e46efd90571bbf74b847a93b1f65dbb41f

@wdzhou (2013-03-14T01:59:59): Fix doxygen. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/79d9e8e46efd90571bbf74b847a93b1f65dbb41f

@wdzhou (2013-04-18T14:26:24): Fix doxygen. Refs http://trac.mantidproject.org/mantid/ticket/6018. https://github.com/mantidproject/mantid/commit/79d9e8e46efd90571bbf74b847a93b1f65dbb41f

@NickDraper (2013-07-26T13:55:00): Moved to backlog at the code freeze for R2.6

@NickDraper (2014-02-14T11:04:58): Bulk move to assigned at the introduction of the triage step

stale[bot] commented 3 years ago

This issue has been automatically marked as stale because it has not had recent activity. It will be closed in 7 days if no further activity occurs. If you feel this is incorrect please comment to keep it alive, with a reason why.

To prevent closure, e.g. for long-term planning issues, add the "Never Stale" label.

stale[bot] commented 3 years ago

This issue has been closed automatically. If this still affects you please re-open this issue with a comment so we can look into resolving it.