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mantidproject
mantid
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9859fd0c
Commit
9859fd0c
authored
5 years ago
by
Conor Finn
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RE #27942 Extend focus and fitting documentation
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docs/source/interfaces/Engineering Diffraction 2.rst
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36 additions, 15 deletions
docs/source/interfaces/Engineering Diffraction 2.rst
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docs/source/interfaces/Engineering Diffraction 2.rst
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9859fd0c
...
@@ -11,8 +11,9 @@ Interface Overview
...
@@ -11,8 +11,9 @@ Interface Overview
This custom interface will integrate several tasks related to engineering
This custom interface will integrate several tasks related to engineering
diffraction. In its current state it provides functionality for creating
diffraction. In its current state it provides functionality for creating
and loading calibration files, focusing ENGINX run files, and performing
and loading calibration files and focusing ENGINX run files.
single peak fitting on focused run files.
Functionality for performing single peak fitting on focused run files is currently in progress.
This interface is under active development.
This interface is under active development.
...
@@ -66,7 +67,7 @@ to the same directory:
...
@@ -66,7 +67,7 @@ to the same directory:
If an RB number has been specified the files will also be saved to a user directory
If an RB number has been specified the files will also be saved to a user directory
in the base directory:
in the base directory:
`<CHOSEN_OUTPUT_DIRECTORY>/User/RB
Number
/Calibration/`
`<CHOSEN_OUTPUT_DIRECTORY>/User/
<
RB
_NUMBER>
/Calibration/`
Cropping
Cropping
^^^^^^^^
^^^^^^^^
...
@@ -97,12 +98,13 @@ Custom Spectra
...
@@ -97,12 +98,13 @@ Custom Spectra
Focus
Focus
-----
-----
This tab allows for the focusing of data files, by providing a run number or selecting the files
This tab allows for the focusing of data files by making use of the :ref:`EnggFocus<algm-EnggFocus>` algorithm.
manually using the browse button, by making use of the :ref:`EnggFocus<algm-EnggFocus>` algorithm.
Files can be selected by providing a run number or selecting the files manually using the browse button.
In order to use the tab, a new or existing calibration must be created or loaded.
In order to use the tab, a new or existing calibration must be created or loaded
(see above)
.
Currently, the focusing tab only support
s o
ne
focusing
mode
:
The interface allows for two kind
s o
f
focusing:
- **Normal Focusing:**
- **Normal Focusing:**
A run number can be entered and both banks will be focused.
A run number can be entered and both banks will be focused.
...
@@ -110,22 +112,28 @@ Currently, the focusing tab only supports one focusing mode:
...
@@ -110,22 +112,28 @@ Currently, the focusing tab only supports one focusing mode:
- **Cropped Focusing:**
- **Cropped Focusing:**
The entered workspace can be cropped to one of the two banks or to a user defined set of spectra.
The entered workspace can be cropped to one of the two banks or to a user defined set of spectra.
Custom cropped workspace
s will have the suffix "cropped".
Workspaces cropped using custom spectra list
s will have the suffix "cropped".
The focused data files are saved in NeXus format to:
Ticking the "Plot Focused Workspace" checkbox will create a plot of the focused workspace when the algorithm is
complete. The number of plots that are generated is dependent on the type of focusing done. Normal focusing generates
a plot for each bank and cropped focusing generates a plot for the single bank or one for the chosen spectra.
`Engineering_Mantid/Focus/`
Clicking the focus button will begin the focusing algorithm for the selected run file. The button and plotting checkbox
will be disabled until the fitting algorithm is complete.
If an RB number has been specified the files will also be saved to a user directory
The focused output files are saved in NeXus, GSS, and raw XYE format to:
in the base directory:
`<CHOSEN_OUTPUT_DIRECTORY>/Focus/`
`Engineering_Mantid/User/RBNumber/Focus/`
If an RB number has been specified the files will also be saved to a user directory:
`<CHOSEN_OUTPUT_DIRECTORY>/User/<RB_NUMBER>/Focus/`
Parameters
Parameters
^^^^^^^^^^
^^^^^^^^^^
Sample Run Number
Sample Run Number
The run number or file path to the data file to be focused.
The run number
of
or file path to the data file to be focused.
Bank/Spectra
Bank/Spectra
Select which bank to restrict the focusing to or allow for the entry of custom spectra.
Select which bank to restrict the focusing to or allow for the entry of custom spectra.
...
@@ -137,14 +145,27 @@ Custom Spectra
...
@@ -137,14 +145,27 @@ Custom Spectra
Fitting
Fitting
-------
-------
This tab allows for single peak fitting of focused run files.
**This tab is currently a work in progress!**
This tab will allow for single peak fitting of focused run files.
Focused run files can be loaded from the file system into mantid from the interface, which will keep track of all the
Focused run files can be loaded from the file system into mantid from the interface, which will keep track of all the
workspaces that it has created from these files.
workspaces that it has created from these files.
The plan for the rest of the functionality is to allow for loaded workspaces to be plotted in the interface. Peaks
could then be selected by clicking on the plot or by using a text field to enter peak centres in d-spacing.
Once the peaks have been selected, they would be fitted using the :ref:`Pseudo-Voigt <func-PseudoVoigt>` and
:ref:`BackToBackExponential <func-BackToBackExponential>` fit functions.
The output from the fitting functions will be stored in a multidimensional file format, along with the sample logs for
the runs that have been fitted.
Parameters
Parameters
^^^^^^^^^^
^^^^^^^^^^
Focused Run Files
Focused Run Files
A comma separated list of files to load. Selecting files from the file system using the browse button will do this
A comma separated list of files to load. Selecting files from the file system using the browse button will do this
for you.
for you.
Peak Positions
A comma separated list of peak positions to be used when performing the fit.
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WHITFIELDRE email
@rwp
mentioned in commit
dc522348
·
5 years ago
mentioned in commit
dc522348
mentioned in commit dc5223487b5ac4e879c02d9677f084803b8bd97a
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