Ticket #6018 (assigned)
Estimate powder instrument profile by fitting individual peaks
Reported by: | Wenduo Zhou | Owned by: | Wenduo Zhou |
---|---|---|---|
Priority: | major | Milestone: | Backlog |
Component: | Framework | Keywords: | |
Cc: | Blocked By: | ||
Blocking: | Tester: |
Description (last modified by Wenduo Zhou) (diff)
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.
Change History
comment:3 Changed 8 years ago by Wenduo Zhou
Enhance functionality. Refs #6018.
Changeset: f4d719fea831e4d6eba8d30fdd8e523f9caba162
comment:4 Changed 8 years ago by Wenduo Zhou
Add functions related to thermal neutron peak. Refs #6018.
Changeset: d6a5ecc61bed446dba287e2437f118ae73165a63
comment:5 Changed 8 years ago by Wenduo Zhou
Enhance functionality. Refs #6018.
Changeset: f4d719fea831e4d6eba8d30fdd8e523f9caba162
comment:6 Changed 8 years ago by Wenduo Zhou
Add functions related to thermal neutron peak. Refs #6018.
Changeset: d6a5ecc61bed446dba287e2437f118ae73165a63
comment:7 Changed 8 years ago by Wenduo Zhou
Enhance powder data peak fitting. Refs #6018.
The code is working, while more tests are requested.
Changeset: f0694c06cc98a633ebf52571aa453305b8ca3f5e
comment:8 Changed 8 years ago by Wenduo Zhou
Implement an enhanced algorithm. Refs #6018.
Initial implementation of an enhanced version to estimate powder diffratometer's profile parameters.
Changeset: 1aa346d124b9afdca983c324717b446434c60642
comment:9 Changed 8 years ago by Wenduo Zhou
Remove compiler warning. Refs #6018.
Changeset: 6a2e168f0b9530878d39706c084fa854a68a4b15
comment:10 Changed 8 years ago by Wenduo Zhou
Enhance powder data peak fitting. Refs #6018.
The code is working, while more tests are requested.
Changeset: 4b5c084fd4b824099f4ec7470fa766a9de194d0e
comment:11 Changed 8 years ago by Wenduo Zhou
Implement an enhanced algorithm. Refs #6018.
Initial implementation of an enhanced version to estimate powder diffratometer's profile parameters.
Changeset: 100ad807c272da50c8f6890c38083a5bdd71ad80
comment:12 Changed 8 years ago by Wenduo Zhou
Remove compiler warning. Refs #6018.
Changeset: c3bad8d717284308be9627782c706d2a4b686cf1
comment:13 Changed 8 years ago by Wenduo Zhou
Rename the algorithm. Refs #6018.
Changeset: 6256051d2b61604c7d8748507a540390caea7bab
comment:14 Changed 8 years ago by Wenduo Zhou
Improve speed. Refs #6018.
Changeset: 7fd70347d9c8e1927b4c06ec2290942462e971d2
comment:15 Changed 8 years ago by Wenduo Zhou
Add one public function for calculation. Refs #6018.
Changeset: 8d74c6fe293ae5971811aac8b8aaf46db3e615c8
comment:16 Changed 8 years ago by Wenduo Zhou
Implement public function to calculate. Refs #6018.
Changeset: c0eb96c187cd9d7a3c05c64f3fe68621ba32673f
comment:17 Changed 8 years ago by Wenduo Zhou
Rename the algorithm. Refs #6018.
Changeset: 6256051d2b61604c7d8748507a540390caea7bab
comment:18 Changed 8 years ago by Wenduo Zhou
Improve speed. Refs #6018.
Changeset: 7fd70347d9c8e1927b4c06ec2290942462e971d2
comment:19 Changed 8 years ago by Wenduo Zhou
Add one public function for calculation. Refs #6018.
Changeset: 8d74c6fe293ae5971811aac8b8aaf46db3e615c8
comment:20 Changed 8 years ago by Wenduo Zhou
Implement public function to calculate. Refs #6018.
Changeset: c0eb96c187cd9d7a3c05c64f3fe68621ba32673f
comment:21 Changed 8 years ago by Wenduo Zhou
Rename the algorithm. Refs #6018.
Changeset: 18692debe74e8bea93aa8084143fbb37cd577ec2
comment:22 Changed 8 years ago by Wenduo Zhou
Improve speed. Refs #6018.
Changeset: f3b63e03b11aefc7ab1a24f51000d3deaa1be03d
comment:23 Changed 8 years ago by Wenduo Zhou
Add one public function for calculation. Refs #6018.
Changeset: a7778db8ee75739a99b1f8becf6ca52410af2d73
comment:24 Changed 8 years ago by Wenduo Zhou
Implement public function to calculate. Refs #6018.
Changeset: 9d9f229dd396d1cb086cfbc0ea3398e5c861cd81
comment:25 Changed 8 years ago by Wenduo Zhou
Add RefinePowderInstrumentParameters2. Refs #6018.
Changeset: f6da12a71f6d733cd688f2494ddc31bcec10ea52
comment:26 Changed 8 years ago by Wenduo Zhou
Take RefinePowderInstrumentParameters out of unit test. Refs #6018.
Changeset: 9e82b96e8a2369031c264fb462c76418b766eaf0
comment:27 Changed 8 years ago by Wenduo Zhou
Add simulated annealing. Refs #6018."
Add simulated annealing algorithm to algorithm. Make it version 2 to replace previous version 1.
Changeset: e400fc2ab8a9542e4b7074ceccb527d88009099e
comment:28 Changed 8 years ago by Wenduo Zhou
Fix the version issue. Refs #6018.
Changeset: 42a25faf184049108f6386d2edd68f62d9448251
comment:29 Changed 8 years ago by Wenduo Zhou
Add unit tests. Refs #6018.
Changeset: c0af0425e063ac1566c2a812f4d367772c43c2a2
comment:31 Changed 8 years ago by Wenduo Zhou
Fix doxygen. Refs #6018.
Changeset: 79d9e8e46efd90571bbf74b847a93b1f65dbb41f
comment:32 Changed 8 years ago by Wenduo Zhou
Fix doxygen. Refs #6018.
Changeset: 79d9e8e46efd90571bbf74b847a93b1f65dbb41f
comment:33 Changed 7 years ago by Wenduo Zhou
Fix doxygen. Refs #6018.
Changeset: 79d9e8e46efd90571bbf74b847a93b1f65dbb41f
comment:39 Changed 7 years ago by Nick Draper
- Milestone changed from Release 2.6 to Backlog
Moved to backlog at the code freeze for R2.6
comment:40 Changed 7 years ago by Nick Draper
- Status changed from new to assigned
Bulk move to assigned at the introduction of the triage step
comment:41 Changed 5 years ago by Stuart Campbell
This ticket has been transferred to github issue 6864