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Commit 2fdf0dff authored by Federico Montesino Pouzols's avatar Federico Montesino Pouzols
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documentation for new workspace, and d-spacing conversion, re #16252

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...@@ -53,7 +53,8 @@ Calibration ...@@ -53,7 +53,8 @@ Calibration
This tab provides a graphical interface to calculate calibrations and This tab provides a graphical interface to calculate calibrations and
visualize them. visualize them.
It is possible to It is possible to:
- generate a new calibration file (which becomes the new current - generate a new calibration file (which becomes the new current
calibration) calibration)
- load an existing calibration from a GSAS instrument - load an existing calibration from a GSAS instrument
...@@ -91,6 +92,11 @@ copied into a general (all) output directory: ...@@ -91,6 +92,11 @@ copied into a general (all) output directory:
`C:/EnginX_Mantid/Calibration` on Windows or `C:/EnginX_Mantid/Calibration` on Windows or
`~/EnginX_Mantid/Calibration` on other platforms. `~/EnginX_Mantid/Calibration` on other platforms.
The calibration parameters for each bank are made available for user
inspection in a workspace named
**engggui_calibration_banks_parameters** which is updated when new
calibrations are loaded or calculated.
Parameters Parameters
^^^^^^^^^^ ^^^^^^^^^^
...@@ -357,9 +363,11 @@ Output ...@@ -357,9 +363,11 @@ Output
Once the Fit button has been clicked, wait until the Fitting process has Once the Fit button has been clicked, wait until the Fitting process has
completed and upon completion you should be able to view on the Fitting completed and upon completion you should be able to view on the Fitting
tab; the focused workspace plotted in the background in grey crosses. tab:
Whereas the expected peaks plotted in various colours over lapping the
focused workspace peaks. - The focused workspace plotted in the background in gray crosses.
- The expected peaks plotted in various colours over lapping the
focused workspace peaks.
Within the :ref:`Preview-Engineering_Diffraction-ref` section user is Within the :ref:`Preview-Engineering_Diffraction-ref` section user is
able to zoom-in or zoom-out as well as select, add and save peaks. able to zoom-in or zoom-out as well as select, add and save peaks.
...@@ -374,6 +382,20 @@ workspaces window: ...@@ -374,6 +382,20 @@ workspaces window:
3. The *engggui_fitting_single_peaks* workspace within each workspace 3. The *engggui_fitting_single_peaks* workspace within each workspace
index representing individual expected peak. index representing individual expected peak.
In the plots, the x or abscissa axis is in d-spacing units, which are
more convenient for peak fitting than time-of-flight. However the run
files and the focus files are normally stored as time-of-flight
data. For this reason a conversion from the time-of-flight data to
d-spacing is required. The conversion is performed using the current
calibration of banks. The interface handles this internally and adds
special sample logs to the fitting workspaces
(*engggui_fitting_single_peaks* and *engggui_fitting_focused_ws*). By
inspecting the sample logs of these workspaces. The conversion is
performed using the `GSAS
<https://subversion.xray.aps.anl.gov/trac/pyGSAS>`__ equations, as
calculated by the algorithm :ref:`AlignDetectors
<algm-AlignDetectors>`
.. _Preview-Engineering_Diffraction-ref: .. _Preview-Engineering_Diffraction-ref:
Preview Preview
...@@ -440,7 +462,7 @@ is being refined. ...@@ -440,7 +462,7 @@ is being refined.
The Following advanced settings are available to customize the The Following advanced settings are available to customize the
behavior of this interface: behavior of this interface:
Force recalculate Force recalculate all existing Vanadium files
If this is enabled, Vanadium corrections will be recalculated even If this is enabled, Vanadium corrections will be recalculated even
if previous correction results are available for the current Vanadium if previous correction results are available for the current Vanadium
run number. This is not required unless a modification is done to the run number. This is not required unless a modification is done to the
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