Option for cylinder integration in SCD reduction

[Vickie Lynch]

Add cylinder integration to both SCD reduction script and GUI

[Vickie Lynch]

Refs #8193 add cylinder integration to SCD script

Changeset: eed6d6a0c2b37cf65a02dcfd2f774166e12951d1

[Vickie Lynch]

Refs #8193 defaults for dictionary so old config files work

Changeset: af8ee40634924787a8befe8652b0668382efa126

[Vickie Lynch]

Refs #8193 need quotes for max_Q, etc.

Changeset: 0060766d37be4ec496811c7612403ccaa0c60589

[Vickie Lynch]

Refs #8193 more defaults for dictionary

Changeset: 7b52bb68345c3f375e2d59d2d88a3777c7ad8c5d

[Vickie Lynch]

In testing this ticket, I found that the SCD Reduction interface does not run correctly with MantidPlotNightly. ConvertToMD has changed since the last release so that if the workspace contains a UB matrix, the result is HKL coordinates. As part of this ticket, I will add the Q3DFrames="Q_sample" property that fixes this.

[Vickie Lynch]

Refs #8193 cylindrical integration in SCD interface

Changeset: 33dae9bfeb5c1c38f0466dbdfc032bca45e0bb0d

[Vickie Lynch]

Refs #8193 create Q_sample MD workspace for integration

Changeset: 39ecc61b23643580b37722380344c8a0d7efa7e1

[Vickie Lynch]

Refs #8193 may have removed some beautification by Pete

Changeset: 0f4853883250fb9a9235e4af1a60b4a2c711609c

[Vickie Lynch]

To test use interface SCD Event Reduction with TOPAZ_3132_event.nxs from the Data directory of the system tests. Reset Default Settings from the file menu of the interface. Browse to the input file and enter on the first three tabs. On the fourth tab, select cell of type Orthorombic P. Then on the integrate tab change the peak radius and background inner background to 0.1. Change the background outer radius to 0.12 and the cylinder checkbox to true. Open the peak workspace and checked the integrated values to see if they are approximately the same for cylinder checked and unchecked. The scripts under scripts/SCD_Reduction should also be run with "python ReduceOneSCD_Run.py ReduceSCD.config 3132". The config file will need the same changes.

[Vickie Lynch]

Changes to ReduceSCD.config: Check 3132_Orthorhombic_P.integrate output

@@ -27,8 +27,8 @@ calibration_file_2  None
 # must be copied into one directory and that directory must be specified as
 # the data_directory
 #
-data_directory    None
-output_directory  /SNS/users/eu7/SCRIPT_TEST/
+data_directory    /home/vel/workspace #None
+output_directory  /home/vel/workspace #/SNS/users/eu7/SCRIPT_TEST/

 #
 # Min & max tof determine the range of events loaded.
@@ -54,8 +54,8 @@ max_monitor_tof  12500
 # .integrate file, and will combine, re-index and convert to a conventional
 # cell, so these can usually be left as None.
 #
-cell_type     Rhombohedral
-centering     R
+cell_type     Orthorhombic
+centering     P

 #
 # Number of peaks to find, per run, both for getting the UB matrix,
@@ -77,7 +77,7 @@ num_peaks_to_find  500
 # sample.
 #
 min_d         4
-max_d         8
+max_d        16
 tolerance  0.12

 #
@@ -95,8 +95,8 @@ max_pred_dspacing           2.5
 # Select only ONE of the following integration methods, by setting the
 # use_*****_integration flag True.
 #
-use_sphere_integration      True
-use_cylinder_integration    False
+use_sphere_integration      False
+use_cylinder_integration    True
 use_ellipse_integration     False
 use_fit_peaks_integration   False

@@ -105,9 +105,9 @@ use_fit_peaks_integration   False
 # are correct, if use_sphere_integration, or use_ellipse_integration is True.
 # Otherwise the values aren't used.
 #
-peak_radius             0.18       # for sphere integration only
-bkg_inner_radius        0.18       # for sphere or ellipse integration
-bkg_outer_radius        0.23       # for sphere or ellipse integration
+peak_radius             0.1       # for sphere integration only
+bkg_inner_radius        0.1       # for sphere or ellipse integration
+bkg_outer_radius        0.12       # for sphere or ellipse integration
 integrate_if_edge_peak  True       # for sphere integration only
 #
 ## Specify cylinder integration control parameters. Check that these

[Vickie Lynch]

Need to reopen to use Qt Designer changes put in master

[Vickie Lynch]

-Refs #8193 updated master ui file

Changeset: 58fc2a9f9b510d8b0cb7f85ed180c14fa3a6d6bf

[Vickie Lynch]

Refs #8193 cherry pick from 7989

Changeset: 3cc8f575a58cbe0ee81def680f689e2e1ecc2c94

[Vickie Lynch]

Refs #8193 fix ui differences

Changeset: e601d7ac05b509099dea2055bc63225e5b8382ab

[Peter Peterson]

Merge remote branch 'origin/feature/8193_cylinder_integration_SCD_reduction'

Re #8193

Conflicts:

Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MantidEV.ui

Changeset: 27661c39641ed0b0b48172552781a3943879df00

[Peter Peterson]

Merge remote branch 'origin/feature/8193_cylinder_integration_SCD_reduction'

Re #8193

Conflicts:

Code/Mantid/MantidQt/CustomInterfaces/inc/MantidQtCustomInterfaces/MantidEV.ui

Full changeset: ​27661c39641ed0b0b48172552781a3943879df00

[Stuart Campbell]

This ticket has been transferred to github issue ​9038