Ticket #11617 (closed: fixed)

Opened 5 years ago

Last modified 5 years ago

Create an algorithm to calculate chi squared over DOF

Reported by: Roman Tolchenov Owned by: Roman Tolchenov
Priority: major Milestone: Release 3.5
Component: Framework Keywords:
Cc: petersonpf@… Blocked By:
Blocking: Tester: Pete Peterson

Description

Using Fit for doing just that seems to be a lot of unnecessary work. It also may lead to mistakes if Fit does 1 or more iterations.

Change History

comment:1 Changed 5 years ago by Roman Tolchenov

  • Cc petersonpf@… added

comment:2 Changed 5 years ago by Nick Draper

  • Milestone changed from Release 3.4 to Release 3.5

Moved to R3.5 at the R3.4 code freeze

comment:3 Changed 5 years ago by Roman Tolchenov

  • Status changed from new to inprogress

Re #11617. Created a base class for fitting algorithms.

Changeset: d34cafdddff558bc4ff32d13c9eb842c75c3b86a

comment:4 Changed 5 years ago by Roman Tolchenov

Re #11617. Refactor creator creation.

Changeset: 3ad34a0c94ea74a3dfd4c79b25ecfb1a04cfdc43

comment:5 Changed 5 years ago by Roman Tolchenov

Re #11617. Added CalculateChiSquared algorithm.

Changeset: bb3b07341df529807597797f5a343489291433d5

comment:6 Changed 5 years ago by Roman Tolchenov

Re #11617. More unit tests.

Changeset: fb837a70470506491dc88a828f17f86b5457f9ef

comment:7 Changed 5 years ago by Roman Tolchenov

Re #11617. Ignore invalid data.

Changeset: 2db38c1e0a9fc957cafbb58c40292b00ede41f68

comment:8 Changed 5 years ago by Roman Tolchenov

Re #11617. Division by DOF

Changeset: 8f220b0b34dfb3e83e79dc8e594b341a5cb7c228

comment:9 Changed 5 years ago by Peter Peterson

Since it is "free" to calculate it... It would be great if it returned both chisq as well as the normalized chisq.

comment:10 Changed 5 years ago by Roman Tolchenov

Re #11617. Added property for chi2 / DOF.

Changeset: e3f0280221b9c62a59b371786f3a72ffd6464f8e

comment:11 Changed 5 years ago by Roman Tolchenov

Re #11617. Added weighted sums.

Changeset: 28cb0005fb68afc7a2ca58b6a5c9a22fb91bef53

comment:12 Changed 5 years ago by Roman Tolchenov

Pete: Could you take a look at the parameter names? I maybe got them wrong.

comment:13 Changed 5 years ago by Peter Peterson

Sometimes it is called Normalize Chisq. I'm not sure if ChiSquaredDividedByDOF or NormalizedChiSquared is a better output parameter name.

comment:14 Changed 5 years ago by Roman Tolchenov

What about the 'chi squared' part? Is it the plain sum of squares or the squares divided by the errors?

comment:15 Changed 5 years ago by Roman Tolchenov

Re #11617. Added algorithm description.

Changeset: 7b512193c2ccee9a3dfdef82e8132df444eadad2

comment:16 Changed 5 years ago by Roman Tolchenov

  • Status changed from inprogress to verify
  • Resolution set to fixed

This is being verified as ​pull request #809.

comment:17 Changed 5 years ago by Roman Tolchenov

Re #11617. Changes to python api. Fix compiler warnings.

Changeset: 14a28af3a0a9ae2c0a2884a098b677c39cdd593a

comment:18 Changed 5 years ago by Roman Tolchenov

Merge remote-tracking branch 'origin/master' into 11617_calculate_chi_squared_over_dof

Conflicts:

Code/Mantid/Framework/PythonInterface/mantid/simpleapi.py

Re #11617.

Changeset: c22649328f5e90860b919c6a5e7dae148bd1eaee

comment:19 Changed 5 years ago by Roman Tolchenov

This is being verified as ​pull request #816.

comment:20 Changed 5 years ago by Pete Peterson

  • Status changed from verify to verifying
  • Tester set to Pete Peterson

comment:21 Changed 5 years ago by Pete Peterson

It isn't clear to me why the windows build is broken, and the merge conflict is non-trivial because of the new class inserted in the hierarchy.

comment:22 Changed 5 years ago by Roman Tolchenov

Merge remote-tracking branch 'origin/master' into 11617_calculate_chi_squared_over_dof

Conflicts:

Code/Mantid/Framework/CurveFitting/src/Fit.cpp

Re #11617.

Changeset: e502a50da252182900946fa4cc1016b6ae5bbdc2

comment:23 Changed 5 years ago by Roman Tolchenov

Re #11617. Trying to fix a pylint error.

Changeset: c7d4e031e7253c1583ca64048ac7a55efd622171

comment:24 Changed 5 years ago by Pete Peterson

Looks good. I'm merging even with the broken windoze build b/c I think it isn't relevant.

comment:25 Changed 5 years ago by Pete Peterson

  • Status changed from verifying to closed

Merge pull request #816 from mantidproject/11617_calculate_chi_squared_over_dof

Calculate chi squared over dof

Full changeset: ​0e121af7cc8efab724110b11975261f1b1490eeb

comment:26 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue ​12455

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