Ticket #4985 (closed: fixed)

Opened 9 years ago

Last modified 5 years ago

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:29 Changed 9 years ago by Peter Peterson

  • Status changed from reopened to accepted

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:33 Changed 8 years ago by Wenduo Zhou

  • Status changed from verifying to closed

comment:34 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue ​5831

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