SANS: Fitting rescale and shift

[Anders Markvardsen]

Following on from #2159. Here allow rescale and shift to be fitted

[Anders Markvardsen]

sans: allow fitting rescale and shift. re #5844

Changeset: 0ad65c1e3ffa6dca0e06f299e3d3aa5cea0e0258

[Anders Markvardsen]

sans: allow fitting rescale and shift. re #5844

Changeset: 0ad65c1e3ffa6dca0e06f299e3d3aa5cea0e0258

[Anders Markvardsen]

Steve/Richard showed yesterday that I had forgot to add the code for this to work in batch mode. Do this according to:

"We have agreed that the batch processor will now append “_front”, ”_rear” or ”_merged” onto output workspaces and file names to make batch processing much simpler."

Also note the sutblety:

"the SHIFT adjustment should only be made to a Sample run and not to a Can run, as it is a relative shift for the “sample-can” result for the front detector. The RESCALE adjustment needs to be applied to both Sample and Can runs. If the SHIFT and/or RESCALE are being fitted, this can be done on “sample-can” results for Front and Rear detectors, or just “sample” results if no can run is specified."

[Anders Markvardsen]

Consisting logic for shift and rescale. re #5844

Changeset: 1b9bf07f33273cb71f1ed1d10ce300e4d7f860f9

[Anders Markvardsen]

Added warnings when fit fail for shift and rescale. re #5844

It turns out that for LOQ reduced data can contain NaN entries. Code added to handle this case better

Changeset: 0dd19222c53863c487e3f5e195424b96ab342fc7

[Gesner Passos]

The user King, warned that the reduction with the merging has these issues:

• In single run mode the merging is not quite doing what it should, the main det data should not be rescaled or shifted, only the HAB/Front data should be;
• The merging is not properly using the Can runs;
• In batch mode no merged data is generated (the Q range of the output data is the same as that for the main det);
• It should be possible to put DET/BOTH and DET/MERGED in a mask file to control a reduction, at the moment these have no effect.

[Gesner Passos]

SANS Rescale and Fitting and Merging Detectors in batch mode.

isis_instrument.py:

• add variable to allow selection of BOTH and MERGED

SANSBatchMode.py:

• Extension BatchReduce function to accept a new input that informs which kind of reduction is expected and return an output of the scale and shift settings from the Fit algorithm.

ISISCommandInterface.py:

• Extension of WavRangeReduction to provide new output (the scale and shift)
• Refactoring of WavRangeReduction function for solve problem of having different paths from SingleMode and BatchMode
• Propose a new function for the calculation of the merged function considering the CAN.

SANSRunWindow.cpp:

• Correct bugs inside the loadUserFile function to correctly process the following entries: DET/[RESCALE|SHIFT]/FIT [Q1 Q2]
• Extend loadUserFile to identify the options DET/[BOTH|MERGED|REAR|FRONT|HAB]
• Correct the SingleMode Loading function to move correctly the detector - Causing different answer from batch and single mode.
• Correct the python code related to SANSBatchMode and ISISCommandInterface
• Update the shift and scale parameters at the enf of a Batch mode reduction.

re #5844

Changeset: 0ff0b453aea49e85fba4b390cfdad939b360f38d

[Gesner Passos]

SANS Rescale and Fitting and Merging Detector

Fix the merging formula when no CAN is given (ISISCommandInterface) Implement the agrement to have _rear, _front, _merged suffix in batch mode (SANSBatchMode) re #5844

Changeset: ee41082310d595ad5b1a5aab8256993e54dd76cf

[Gesner Passos]

SANS Rescale and Fitting and Merging Detector

Issue Warning message when the Fit Function returns a negative scale value. re #5844

Changeset: bd77e6a503606689600edc2cd3573e6fc012019e

[Gesner Passos]

Stephen reported some issues:

• NameError: name fit_settings is not defined at line 2 in <Interface>
• DET/MAIN is not being processed any more.

[Gesner Passos]

SANS process DET/MAIN option

re #5844

Changeset: fa77edc28571c355cd135f5ac274758888f23da9

[Gesner Passos]

Solve fit_settings not defined variable

When reduction fails, an extra warning message appears saying that there is no fit_settings variable available. This solves this problem.

re #5844

Changeset: 329c539122bd06d3aa4d7355437047ea4682b1de

[Gesner Passos]

Solve extra warnings that was confusing the user

Q1D2: correct the warning message to have WorkspaceIndex.

SANSRunWindow:

• warning user that we will ignore the FLOOD file option when

the detector is the FRONT/HAB detector. A new ticket will be opened to deal with this properly.

• Skip reloading the user file for every single reduction that caused

extra warnings to appear, confusing the user.

• Accept DET/MERGE option to be passed as well as DET/MERGED.

ISISCommandInterface-> temporaly clear the FloodFile when reducting the FRONT/HAB detector.

re #5844

Changeset: 7ceaa78b4ad5d7f25cd44351e4e52e75429a1341

[Anders Markvardsen]

Tested this with LOQ and SANS2D data and it looks good to me

[Anders Markvardsen]

Consisting logic for shift and rescale. re #5844

Changeset: 1b9bf07f33273cb71f1ed1d10ce300e4d7f860f9

[Anders Markvardsen]

Added warnings when fit fail for shift and rescale. re #5844

It turns out that for LOQ reduced data can contain NaN entries. Code added to handle this case better

Changeset: 0dd19222c53863c487e3f5e195424b96ab342fc7

[Gesner Passos]

SANS Rescale and Fitting and Merging Detectors in batch mode.

isis_instrument.py:

• add variable to allow selection of BOTH and MERGED

SANSBatchMode.py:

• Extension BatchReduce function to accept a new input that informs which kind of reduction is expected and return an output of the scale and shift settings from the Fit algorithm.

ISISCommandInterface.py:

• Extension of WavRangeReduction to provide new output (the scale and shift)
• Refactoring of WavRangeReduction function for solve problem of having different paths from SingleMode and BatchMode
• Propose a new function for the calculation of the merged function considering the CAN.

SANSRunWindow.cpp:

• Correct bugs inside the loadUserFile function to correctly process the following entries: DET/[RESCALE|SHIFT]/FIT [Q1 Q2]
• Extend loadUserFile to identify the options DET/[BOTH|MERGED|REAR|FRONT|HAB]
• Correct the SingleMode Loading function to move correctly the detector - Causing different answer from batch and single mode.
• Correct the python code related to SANSBatchMode and ISISCommandInterface
• Update the shift and scale parameters at the enf of a Batch mode reduction.

re #5844

Changeset: 0ff0b453aea49e85fba4b390cfdad939b360f38d

[Gesner Passos]

SANS Rescale and Fitting and Merging Detector

Fix the merging formula when no CAN is given (ISISCommandInterface) Implement the agrement to have _rear, _front, _merged suffix in batch mode (SANSBatchMode) re #5844

Changeset: ee41082310d595ad5b1a5aab8256993e54dd76cf

[Gesner Passos]

SANS Rescale and Fitting and Merging Detector

Issue Warning message when the Fit Function returns a negative scale value. re #5844

Changeset: bd77e6a503606689600edc2cd3573e6fc012019e

[Gesner Passos]

SANS process DET/MAIN option

re #5844

Changeset: fa77edc28571c355cd135f5ac274758888f23da9

[Gesner Passos]

Solve fit_settings not defined variable

When reduction fails, an extra warning message appears saying that there is no fit_settings variable available. This solves this problem.

re #5844

Changeset: 329c539122bd06d3aa4d7355437047ea4682b1de

[Gesner Passos]

Solve extra warnings that was confusing the user

Q1D2: correct the warning message to have WorkspaceIndex.

SANSRunWindow:

• warning user that we will ignore the FLOOD file option when

the detector is the FRONT/HAB detector. A new ticket will be opened to deal with this properly.

• Skip reloading the user file for every single reduction that caused

extra warnings to appear, confusing the user.

• Accept DET/MERGE option to be passed as well as DET/MERGED.

ISISCommandInterface-> temporaly clear the FloodFile when reducting the FRONT/HAB detector.

re #5844

Changeset: 7ceaa78b4ad5d7f25cd44351e4e52e75429a1341

[Gesner Passos]

Solve extra warnings that was confusing the user

Q1D2: correct the warning message to have WorkspaceIndex.

SANSRunWindow:

• warning user that we will ignore the FLOOD file option when

the detector is the FRONT/HAB detector. A new ticket will be opened to deal with this properly.

• Skip reloading the user file for every single reduction that caused

extra warnings to appear, confusing the user.

• Accept DET/MERGE option to be passed as well as DET/MERGED.

ISISCommandInterface-> temporaly clear the FloodFile when reducting the FRONT/HAB detector.

re #5844

Changeset: 7ceaa78b4ad5d7f25cd44351e4e52e75429a1341

[Stuart Campbell]

This ticket has been transferred to github issue ​6690