Ticket #4985 (closed: fixed)
Improve FindPeaks
Reported by: | Peter Peterson | Owned by: | Peter Peterson |
---|---|---|---|
Priority: | major | Milestone: | Release 2.1 |
Component: | Mantid | Keywords: | |
Cc: | Blocked By: | ||
Blocking: | Tester: | Wenduo Zhou |
Description
A bullet list of new features:
- Add a final column to the output table workspace for the chi2 value per peak.
- More common reporting of fit results (zeros with a 1000 for chi2 when fit goes wrong).
- Support more peak shapes. The same list as GetDetectorOffsets with Gaussian as the default.
Change History
comment:1 Changed 9 years ago by Peter Peterson
- Owner set to Peter Peterson
- Status changed from new to accepted
comment:2 Changed 9 years ago by Peter Peterson
Refs #4984 and #4985. Addig a column for chisq to the results.
Changeset: 3362809a8c7bcf728e239cc124cb59f209c9e074
comment:3 Changed 9 years ago by Peter Peterson
Refs #4985. Fit functions are local variables rather than instance.
This is so later on the code can be parallelized at the spectrum level if not peak.
Changeset: e198cecb90f9e933f2c7f85e986ada222a26d516
comment:4 Changed 9 years ago by Peter Peterson
Refs #4985. No longer create temporary data for fitting peak.
Changeset: 1543a7511cc33fcca92a0e836c04ccb018becfb7
comment:5 Changed 9 years ago by Peter Peterson
Refs #4985. Use a vector for the best fit parameters everywhere.
This is the next step in bringing the low/high background parts together.
Changeset: 8304ee9ef4b87a2806c75c559c31974b9ad03717
comment:6 Changed 9 years ago by Peter Peterson
Refs #4985. Changed background type to be an instance variable.
Changeset: fdaf7967c1be62ee0dbeaf6dbafabea9c417ec8f
comment:7 Changed 9 years ago by Peter Peterson
Refs #4985. Finished FindPeaks refactoring.
Collected together the rest of he functionality between branches and added FlatBackground option.
Changeset: 2e14486b9af99c0168e6ea859472576c1426d872
comment:8 Changed 9 years ago by Peter Peterson
Refs #4985. Fixing windows build.
Changeset: 939306705781f166de0eead96bb2a51d875ce117
comment:9 Changed 9 years ago by Peter Peterson
Refs #4985. Fixing windows (and unix) build.
Changeset: 908801e0dbf85f585e4a368d1d34e2680fcfcab9
comment:10 Changed 9 years ago by Peter Peterson
Refs #4984 and #4985. Addig a column for chisq to the results.
Changeset: 3362809a8c7bcf728e239cc124cb59f209c9e074
comment:11 Changed 9 years ago by Peter Peterson
Refs #4985. Fit functions are local variables rather than instance.
This is so later on the code can be parallelized at the spectrum level if not peak.
Changeset: e198cecb90f9e933f2c7f85e986ada222a26d516
comment:12 Changed 9 years ago by Peter Peterson
Refs #4985. No longer create temporary data for fitting peak.
Changeset: 1543a7511cc33fcca92a0e836c04ccb018becfb7
comment:13 Changed 9 years ago by Peter Peterson
Refs #4985. Use a vector for the best fit parameters everywhere.
This is the next step in bringing the low/high background parts together.
Changeset: 8304ee9ef4b87a2806c75c559c31974b9ad03717
comment:14 Changed 9 years ago by Peter Peterson
Refs #4985. Changed background type to be an instance variable.
Changeset: fdaf7967c1be62ee0dbeaf6dbafabea9c417ec8f
comment:15 Changed 9 years ago by Peter Peterson
Refs #4985. Finished FindPeaks refactoring.
Collected together the rest of he functionality between branches and added FlatBackground option.
Changeset: 2e14486b9af99c0168e6ea859472576c1426d872
comment:16 Changed 9 years ago by Peter Peterson
Refs #4985. Fixing windows build.
Changeset: 939306705781f166de0eead96bb2a51d875ce117
comment:17 Changed 9 years ago by Peter Peterson
Refs #4985. Fixing windows (and unix) build.
Changeset: 908801e0dbf85f585e4a368d1d34e2680fcfcab9
comment:18 Changed 9 years ago by Peter Peterson
Refs #4985. Added property for setting search windows.
This is still in a bit of an exploration mode, but it appears as though this will help with NOMAD.
Changeset: 16943a54fce998a8e0221479d7598e2ca97c33cb
comment:19 Changed 9 years ago by Peter Peterson
Refs #4985. Fixed bug of where the starting peak centre is.
It was being calculated as the left side of the peak location rather than the centre position that was found/provided.
Changeset: d0c52d302687be8fb977c45393365612b9770d61
comment:20 Changed 9 years ago by Peter Peterson
Refs #4985. Code cleanup.
Changeset: 9e7a416e658d416c0252a19510dcbf1e0a8b4e6e
comment:21 Changed 9 years ago by Peter Peterson
Refs #4985. Added in hooks for multiple peak shapes.
Unfortunately they all have different parameter names so knowing what to do for them is a little more complex. This is currently locked in to only Gaussian, but adding more parameters would make things work/break in a fairly straightforward way.
Refs #4985. Adding the rest of the peak shapes to FindPeaks.
Changeset: 04ea7ce2e618311547f35f766c624eae0597c33a
comment:22 Changed 9 years ago by Peter Peterson
Refs #4985. Adding the rest of the peak shapes to FindPeaks.
Changeset: b6727751956939e7572c6268b95d293544e74854
comment:23 Changed 9 years ago by Peter Peterson
Refs #4985. Adding additional peak shapes to interface.
Changeset: db87f51572da5d991857538d7992cef2d300b25b
comment:24 Changed 9 years ago by Peter Peterson
Refs #4985. Adding doxygen.
Changeset: da676cc135ee8852dc153d565de380b61340d2db
comment:25 Changed 9 years ago by Peter Peterson
- Status changed from accepted to verify
- Resolution set to fixed
comment:26 Changed 9 years ago by Peter Peterson
- Status changed from verify to reopened
- Resolution fixed deleted
There is a better way to get around the requirement of StripPeaks that the width of a Gaussian is the raw sigma rather than FWHM like everybody else.
comment:27 Changed 9 years ago by Peter Peterson
Refs #4985. Use rawpeaks option in StripPeaks.
Changeset: 875ce636a4fe7bc93c6bb620c552a5133d9123d0
comment:28 Changed 9 years ago by Peter Peterson
Refs #4985. Removing special case for Gaussians.
Changeset: 9d3c01178738991dc61d50b02adedc16fea8a084
comment:30 Changed 9 years ago by Peter Peterson
- Status changed from accepted to verify
- Resolution set to fixed
comment:31 Changed 9 years ago by Russell Taylor
Re #4985. Compiler warnings.
Changeset: 1cdb48746977efab6f470a8597d81c301b02a615
comment:32 Changed 8 years ago by Wenduo Zhou
- Status changed from verify to verifying
- Tester set to Wenduo Zhou
comment:34 Changed 5 years ago by Stuart Campbell
This ticket has been transferred to github issue 5831