diff --git a/docs/source/interfaces/Engineering_Diffraction.rst b/docs/source/interfaces/Engineering_Diffraction.rst index 0c72bdb8613712a8617348e70baaef168820c338..5ce0f3d50f70ff2664b1bb020b2a47857e2d9369 100644 --- a/docs/source/interfaces/Engineering_Diffraction.rst +++ b/docs/source/interfaces/Engineering_Diffraction.rst @@ -53,7 +53,8 @@ Calibration This tab provides a graphical interface to calculate calibrations and visualize them. -It is possible to +It is possible to: + - generate a new calibration file (which becomes the new current calibration) - load an existing calibration from a GSAS instrument @@ -91,6 +92,11 @@ copied into a general (all) output directory: `C:/EnginX_Mantid/Calibration` on Windows or `~/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 ^^^^^^^^^^ @@ -357,9 +363,11 @@ Output 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 -tab; the focused workspace plotted in the background in grey crosses. -Whereas the expected peaks plotted in various colours over lapping the -focused workspace peaks. +tab: + +- 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 able to zoom-in or zoom-out as well as select, add and save peaks. @@ -374,6 +382,20 @@ workspaces window: 3. The *engggui_fitting_single_peaks* workspace within each workspace 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 @@ -440,7 +462,7 @@ is being refined. The Following advanced settings are available to customize the behavior of this interface: -Force recalculate +Force recalculate all existing Vanadium files If this is enabled, Vanadium corrections will be recalculated even if previous correction results are available for the current Vanadium run number. This is not required unless a modification is done to the