Ticket #8744 (reopened)

Opened 7 years ago

Last modified 5 years ago

Implement fit function back-to-back exponential convoluted with psuedo voigt

Reported by: Wenduo Zhou Owned by: Wenduo Zhou
Priority: major Milestone: Backlog
Component: Framework Keywords:
Cc: anders.markvardsen@… Blocked By:
Blocking: #8745 Tester: Anders Markvardsen

Description

Implement a fit function back to back exponential convoluted with pseduo-voigt as an extension of existing fit function BackToBackExponential, which only is convoluted with Gaussian

Attachments

hrp55500.nxs (1.5 MB) - added by Anders Markvardsen 7 years ago.
ISIS HRPD focused processed nexus file
picture1.png (50.2 KB) - added by Anders Markvardsen 7 years ago.

Change History

comment:1 Changed 7 years ago by Wenduo Zhou

  • Blocking 8745 added

comment:2 Changed 7 years ago by Wenduo Zhou

  • Status changed from new to inprogress

Starting to implement BackToBackExponentialPV. Refs #8744.

Starting to implement BackToBackExponentialPV. The code is migrated from BacktoBackExponential. Some changes have been implemented. But it is not finished yet.

Changeset: 6659add48e23af00adbb5ab6e9813b908577517e

comment:3 Changed 7 years ago by Nick Draper

  • Milestone changed from Release 3.1 to Backlog

Moved to backlog at the end of Release 3.1

comment:4 Changed 7 years ago by Wenduo Zhou

Finished implementation of the function. Refs #8744.

Changeset: 936c2afb7d6e288c3b0019b8ffe42f6763fa3dc3

comment:5 Changed 7 years ago by Wenduo Zhou

Added some unit tests. Refs #8744.

Changeset: eba451ac65d035f75ee4427f997677740ee04d7c

comment:6 Changed 7 years ago by Wenduo Zhou

Fixed unit test. Refs #8744.

Changeset: f5e62cc79198ec9baac39407ac5b3eac9fde9024

comment:7 Changed 7 years ago by Wenduo Zhou

  • Milestone changed from Backlog to Release 3.2

comment:8 Changed 7 years ago by Wenduo Zhou

Modified doc in wiki. Refs #8744.

Changeset: 3e4d8f8c7ee383199ee3feb641d8a36ccd231ba3

comment:9 Changed 7 years ago by Wenduo Zhou

Added one more unit test. Refs #8744.

Changeset: 97afd4eb4ac552cf6e3bb9714c3b3e21d59789f0

comment:10 Changed 7 years ago by Wenduo Zhou

Minor modification on how to calculate peak extent. Refs #8744.

Changeset: e204f6b76b4ecc882156cc5ce5853a693319c5bc

comment:11 Changed 7 years ago by Wenduo Zhou

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

For tester

Find some data from instruments using back-to-back exponential convoluted with pseudo-voigt as peak profile. Then using this function to fit some peak.

comment:12 Changed 7 years ago by Anders Markvardsen

  • Status changed from verify to verifying
  • Tester set to Anders Markvardsen

Changed 7 years ago by Anders Markvardsen

ISIS HRPD focused processed nexus file

comment:13 Changed 7 years ago by Anders Markvardsen

  • Status changed from verifying to reopened
  • Resolution fixed deleted
  1. Load attached hrp55500.nxs file
  1. Plot workspace hrp55500_2 for example
  1. Add LinearBackground and one BackToBackExponentialPV peak

When I try to adjust the width graphically I get the error message "Peak width cannot be equal or less than zero", see attaced picture1.png

In another attempt, good new is that I did get a fit, but the parameters ! and B does not change. Also if I change the values of these manually as far as I can tell the peak shape does not change when I do plot guess.

When I select a non-zero value for Gamma, e.g. 1.0, and then to a fit I, the fit takes a lot longer and a lot of red lines are outputted, e.g:

rying to set a NaN or infinity value (1.#QNAN) to parameter Gamma Trying to set a NaN or infinity value (1.#QNAN) to parameter I Trying to set a NaN or infinity value (1.#QNAN) to parameter A Trying to set a NaN or infinity value (1.#QNAN) to parameter B Trying to set a NaN or infinity value (1.#QNAN) to parameter X0 Trying to set a NaN or infinity value (1.#QNAN) to parameter S Trying to set a NaN or infinity value (1.#QNAN) to parameter Gamma Trying to set a NaN or infinity value (1.#QNAN) to parameter I Trying to set a NaN or infinity value (1.#QNAN) to parameter A Trying to set a NaN or infinity value (1.#QNAN) to parameter B Trying to set a NaN or infinity value (1.#QNAN) to parameter X0 Trying to set a NaN or infinity value (1.#QNAN) to parameter S Trying to set a NaN or infinity value (1.#QNAN) to parameter Gamma Trying to set a NaN or infinity value (1.#QNAN) to parameter I Trying to set a NaN or infinity value (1.#QNAN) to parameter A Trying to set a NaN or infinity value (1.#QNAN) to parameter B Trying to set a NaN or infinity value (1.#QNAN) to parameter X0 Trying to set a NaN or infinity value (1.#QNAN) to parameter S Trying to set a NaN or infinity value (1.#QNAN) to parameter Gamma Trying to set a NaN or infinity value (1.#QNAN) to parameter I Trying to set a NaN or infinity value (1.#QNAN) to parameter A Trying to set a NaN or infinity value (1.#QNAN) to parameter B Trying to set a NaN or infinity value (1.#QNAN) to parameter X0 Trying to set a NaN or infinity value (1.#QNAN) to parameter S Trying to set a NaN or infinity value (1.#QNAN) to parameter Gamma Trying to set a NaN or infinity value (1.#QNAN) to parameter I Trying to set a NaN or infinity value (1.#QNAN) to parameter A Trying to set a NaN or infinity value (1.#QNAN) to parameter B Trying to set a NaN or infinity value (1.#QNAN) to parameter X0 Trying to set a NaN or infinity value (1.#QNAN) to parameter S Trying to set a NaN or infinity value (1.#QNAN) to parameter Gamma Trying to set a NaN or infinity value (1.#QNAN) to parameter I Trying to set a NaN or infinity value (1.#QNAN) to parameter A Trying to set a NaN or infinity value (1.#QNAN) to parameter B Trying to set a NaN or infinity value (1.#QNAN) to parameter X0 Trying to set a NaN or infinity value (1.#QNAN) to parameter S Trying to set a NaN or infinity value (1.#QNAN) to parameter Gamma Trying to set a NaN or infinity value (1.#QNAN) to parameter I

Changed 7 years ago by Anders Markvardsen

comment:14 Changed 6 years ago by Wenduo Zhou

  • Milestone changed from Release 3.2 to Release 3.3

comment:15 Changed 6 years ago by Nick Draper

Moved to the backlog at the code freeze of R3.3

comment:16 Changed 6 years ago by Nick Draper

  • Milestone changed from Release 3.3 to Backlog

comment:17 Changed 5 years ago by Stuart Campbell

This ticket has been transferred to github issue 9588

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