Ticket #10623 (closed: fixed)
Enable fitting of POLDI 2D data
| Reported by: | Michael Wedel | Owned by: | Michael Wedel |
|---|---|---|---|
| Priority: | major | Milestone: | Release 3.3 |
| Component: | Diffraction | Keywords: | POLDI |
| Cc: | Blocked By: | ||
| Blocking: | Tester: | Dan Nixon |
Description
The algorithm PoldiCalculateSpectrum2D calculates POLDI data based on a table that contains reflections via the Fit-algorithm (with MaxIterations set to 0). In the scope of this ticket I would like to change the algorithm so that it performs an actual fit.
Because it's tightly connected, I also want to add a usage example for PoldiAnalyseResiduals (see #10432) once the fitting works.
Change History
comment:3 Changed 6 years ago by Michael Wedel
- Status changed from assigned to inprogress
Refs #10623. Added new property to system test
Changeset: fcf39d49ccf09937fc324a9f3c3aca0be994d0af
comment:4 Changed 6 years ago by Michael Wedel
Refs #10623. Added method to convert intensities back to counts
Also fixed a problem in PoldiMockInstrumentHelpers, where 2 d-values where wrong.
Changeset: 9f64ec8024d54e17a1965c3817b9871f4b9d0fee
comment:5 Changed 6 years ago by Michael Wedel
Refs #10623. Added properties to algorithm.
The algorithm now also produces a PoldiPeakCollection with the fitted peaks.
Changeset: 0d23d959c3a2484320255d2f185a0327198318ee
comment:6 Changed 6 years ago by Michael Wedel
Refs #10623. SeqDomainSpectrumCreator takes masking into account
When the detector corresponding to a spectrum of the matrix workspace is masked, it's not added to the domain.
Changeset: 9a553aba6fc496a74a7edadbc16bb21102e6d181
comment:7 Changed 6 years ago by Michael Wedel
Refs #10623. Fixing faulty weights in FunctionDomain1DSpectrumCreator
Had to adjust the errors on the tests a bit, because the weights were wrong before.
Changeset: 974477e9fd6e2a0dd3ae388b3884c62d8002a0aa
comment:8 Changed 6 years ago by Michael Wedel
Refs #10623. Changed Poldi2DFunction to adjust weighting scheme.
Changeset: 3ef7a800ac0ef2d367675f6a4f621d5bc758194b
comment:9 Changed 6 years ago by Michael Wedel
Refs #10623. Renamed algorithm to PoldiFitPeaks2D
A separate calculation algorithm is not required, so the algorithm is renamed to better reflect what it's doing.
Changeset: f31b481c96e5b55e307ba1c06c661d6c46e3a257
comment:10 Changed 6 years ago by Michael Wedel
Refs #10623. Renaming system test to reflect change in algorithm name
Changeset: b209bff3e5c92d4bb0d9d581f6ee47a4c7cf5e69
comment:11 Changed 6 years ago by Michael Wedel
Refs #10623. Adding usage example for PoldiAnalyseResiduals
Changeset: ee06c72e4cc362b4b7e48dfafe46c55e042ac1ce
comment:12 Changed 6 years ago by Michael Wedel
Refs #10623. Preserving HKLs through fitting process.
Changeset: aee3b1cecf7cb99d0f6375daa1ef72ce68e4614c
comment:13 Changed 6 years ago by Michael Wedel
Refs #10623. Adding header for sqrt.
Changeset: 03da7df90fad72c809ea24aaf261d7324bf344d0
comment:14 Changed 6 years ago by Michael Wedel
- Status changed from inprogress to verify
- Resolution set to fixed
Testing information
Make sure that all tests pass. It is very important to merge the systemtest, because an algorithm name has been changed and it will fail if the system tests are not updated.
comment:15 Changed 6 years ago by Dan Nixon
- Status changed from verify to verifying
- Tester set to Dan Nixon
comment:16 Changed 6 years ago by Michael Wedel
Refs #10623. Fixing doctest for PoldiFitPeaks2D
Changeset: 62cf09b00de8ffd817ad193d668e6b650574a219
comment:17 Changed 6 years ago by Dan Nixon
- Status changed from verifying to closed
Merge remote-tracking branch 'origin/feature/10623_enable_poldi_2d_fitting'
Full changeset: bdc6f11339318b52a375c8f36bcd28212541a4e3
comment:18 Changed 6 years ago by Dan Nixon
Merge remote-tracking branch 'origin/feature/10623_enable_poldi_2d_fit'
Full changeset: 661616c5d589b01fe85775469c50306f69f8686f
comment:19 Changed 5 years ago by Stuart Campbell
This ticket has been transferred to github issue 11465
Wrong ticket number in commit message.