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Commit 076a0c71 authored by Nick Draper's avatar Nick Draper
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Neatening up of release notes

In addition many (although not all) sphinx warnings corrected

re #16301
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...@@ -42,7 +42,7 @@ Workspace containing these correction coefficients is created as an output and c ...@@ -42,7 +42,7 @@ Workspace containing these correction coefficients is created as an output and c
Restrictions on the input workspaces Restrictions on the input workspaces
################################### ####################################
The valid input workspace: The valid input workspace:
......
...@@ -75,7 +75,7 @@ output subdirectory will be named ...@@ -75,7 +75,7 @@ output subdirectory will be named
**bands_index_idx_<start>_to_<end>**. And when the time of flight **bands_index_idx_<start>_to_<end>**. And when the time of flight
range option (**ToFRanges**) is used the names will be range option (**ToFRanges**) is used the names will be
**bands_tof_idx_<start>_to_<end>**. The initial prefix **bands_tof_idx_<start>_to_<end>**. The initial prefix
(bands_uniform_, bands_index_, bands_tof_) can be mofified via the (bands_uniform, bands_index, bands_tof) can be mofified via the
input properties **OutputSubdirsPrefixUniformBands**, input properties **OutputSubdirsPrefixUniformBands**,
**OutputSubdirsPrefixIndexBands**, **OutputSubdirsPrefixToFBands**, **OutputSubdirsPrefixIndexBands**, **OutputSubdirsPrefixToFBands**,
respectively. respectively.
......
...@@ -159,9 +159,9 @@ Log values are loaded into the workspace run object as follows: ...@@ -159,9 +159,9 @@ Log values are loaded into the workspace run object as follows:
+-------------------------------------------+-------------------------------+ +-------------------------------------------+-------------------------------+
| - single-period: | ``goodfrm`` (number of good | | - single-period: | ``goodfrm`` (number of good |
| ``run/instrument/beam/frames_good`` | frames) | | ``run/instrument/beam/frames_good`` | frames) |
| | |
| - multi-period: | | | - multi-period: | |
| ``run/instrument/beam/frames_period_daq`` | | | ``run/instrument/beam/frames_period_daq`` | |
| | |
+-------------------------------------------+-------------------------------+ +-------------------------------------------+-------------------------------+
| Other NX\_LOG entries under ``run`` | time series (via LoadMuonLog) | | Other NX\_LOG entries under ``run`` | time series (via LoadMuonLog) |
+-------------------------------------------+-------------------------------+ +-------------------------------------------+-------------------------------+
......
...@@ -125,8 +125,8 @@ The ChildAlgorithms used by LoadMuonNexus are: ...@@ -125,8 +125,8 @@ The ChildAlgorithms used by LoadMuonNexus are:
- :ref:`algm-LoadMuonNexus-v1` - this loads the muon nexus file if not identified as - :ref:`algm-LoadMuonNexus-v1` - this loads the muon nexus file if not identified as
version 2. It in turn uses the following child algorithm: version 2. It in turn uses the following child algorithm:
- :ref:`algm-LoadMuonLog` - this reads log information from the Nexus file and uses - :ref:`algm-LoadMuonLog` - this reads log information from the Nexus file and uses
it to create TimeSeriesProperty entries in the workspace. it to create TimeSeriesProperty entries in the workspace.
- :ref:`algm-LoadInstrument` - this algorithm looks for an XML description of the - :ref:`algm-LoadInstrument` - this algorithm looks for an XML description of the
instrument and if found reads it. instrument and if found reads it.
- :ref:`algm-LoadInstrumentFromNexus` - this is called if the normal - :ref:`algm-LoadInstrumentFromNexus` - this is called if the normal
......
...@@ -135,6 +135,7 @@ algorithms that may need to manipulate/use it. ...@@ -135,6 +135,7 @@ algorithms that may need to manipulate/use it.
:width: 650px :width: 650px
:height: 250px :height: 250px
:align: center :align: center
Usage Usage
----- -----
......
...@@ -20,61 +20,61 @@ Usage ...@@ -20,61 +20,61 @@ Usage
.. testcode:: VesuvioCorrectionsExample .. testcode:: VesuvioCorrectionsExample
###### Simulates LoadVesuvio with spectrum number 135-136 ################# ###### Simulates LoadVesuvio with spectrum number 135-136 #################
tof_ws = CreateSimulationWorkspace(Instrument='Vesuvio',BinParams=[50,0.5,562],UnitX='TOF') tof_ws = CreateSimulationWorkspace(Instrument='Vesuvio',BinParams=[50,0.5,562],UnitX='TOF')
tof_ws = CropWorkspace(tof_ws,StartWorkspaceIndex=134,EndWorkspaceIndex=135) # index one less than spectrum number tof_ws = CropWorkspace(tof_ws,StartWorkspaceIndex=134,EndWorkspaceIndex=135) # index one less than spectrum number
tof_ws = ConvertToPointData(tof_ws) tof_ws = ConvertToPointData(tof_ws)
SetInstrumentParameter(tof_ws, ParameterName='t0',ParameterType='Number',Value='0.5') SetInstrumentParameter(tof_ws, ParameterName='t0',ParameterType='Number',Value='0.5')
SetInstrumentParameter(tof_ws, ParameterName='sigma_l1', ParameterType='Number', Value='0.021') SetInstrumentParameter(tof_ws, ParameterName='sigma_l1', ParameterType='Number', Value='0.021')
SetInstrumentParameter(tof_ws, ParameterName='sigma_l2', ParameterType='Number', Value='0.023') SetInstrumentParameter(tof_ws, ParameterName='sigma_l2', ParameterType='Number', Value='0.023')
SetInstrumentParameter(tof_ws, ParameterName='sigma_tof', ParameterType='Number', Value='0.3') SetInstrumentParameter(tof_ws, ParameterName='sigma_tof', ParameterType='Number', Value='0.3')
SetInstrumentParameter(tof_ws, ParameterName='sigma_theta', ParameterType='Number', Value='0.028') SetInstrumentParameter(tof_ws, ParameterName='sigma_theta', ParameterType='Number', Value='0.028')
SetInstrumentParameter(tof_ws, ParameterName='hwhm_lorentz', ParameterType='Number', Value='24.0') SetInstrumentParameter(tof_ws, ParameterName='hwhm_lorentz', ParameterType='Number', Value='24.0')
SetInstrumentParameter(tof_ws, ParameterName='sigma_gauss', ParameterType='Number', Value='73.0') SetInstrumentParameter(tof_ws, ParameterName='sigma_gauss', ParameterType='Number', Value='73.0')
# Algorithm allows separate parameters for the foils # Algorithm allows separate parameters for the foils
SetInstrumentParameter(tof_ws, ComponentName='foil-pos0', ParameterName='hwhm_lorentz', SetInstrumentParameter(tof_ws, ComponentName='foil-pos0', ParameterName='hwhm_lorentz',
ParameterType='Number', Value='144.0') ParameterType='Number', Value='144.0')
SetInstrumentParameter(tof_ws, ComponentName='foil-pos0', ParameterName='sigma_gauss', SetInstrumentParameter(tof_ws, ComponentName='foil-pos0', ParameterName='sigma_gauss',
ParameterType='Number', Value='20.0') ParameterType='Number', Value='20.0')
SetInstrumentParameter(tof_ws, ComponentName='foil-pos1', ParameterName='hwhm_lorentz', SetInstrumentParameter(tof_ws, ComponentName='foil-pos1', ParameterName='hwhm_lorentz',
ParameterType='Number', Value='144.0') ParameterType='Number', Value='144.0')
SetInstrumentParameter(tof_ws, ComponentName='foil-pos1', ParameterName='sigma_gauss', SetInstrumentParameter(tof_ws, ComponentName='foil-pos1', ParameterName='sigma_gauss',
ParameterType='Number', Value='20.0') ParameterType='Number', Value='20.0')
#######################Create dummy fit parameters############################# #######################Create dummy fit parameters#############################
params = ms.CreateEmptyTableWorkspace(OutputWorkspace='__VesuvioCorrections_test_fit_params') params = ms.CreateEmptyTableWorkspace(OutputWorkspace='__VesuvioCorrections_test_fit_params')
params.addColumn('str', 'Name') params.addColumn('str', 'Name')
params.addColumn('float', 'Value') params.addColumn('float', 'Value')
params.addColumn('float', 'Error') params.addColumn('float', 'Error')
params.addRow(['f0.Width', 4.72912, 0.41472]) params.addRow(['f0.Width', 4.72912, 0.41472])
params.addRow(['f0.FSECoeff', 0.557332, 0]) params.addRow(['f0.FSECoeff', 0.557332, 0])
params.addRow(['f0.C_0', 11.8336, 1.11468]) params.addRow(['f0.C_0', 11.8336, 1.11468])
params.addRow(['f1.Width', 10, 0]) params.addRow(['f1.Width', 10, 0])
params.addRow(['f1.Intensity', 2.21085, 0.481347]) params.addRow(['f1.Intensity', 2.21085, 0.481347])
params.addRow(['f2.Width', 13, 0]) params.addRow(['f2.Width', 13, 0])
params.addRow(['f2.Intensity', 1.42443, 0.583283]) params.addRow(['f2.Intensity', 1.42443, 0.583283])
params.addRow(['f3.Width', 30, 0]) params.addRow(['f3.Width', 30, 0])
params.addRow(['f3.Intensity', 0.499497, 0.28436]) params.addRow(['f3.Intensity', 0.499497, 0.28436])
params.addRow(['f4.A0', -0.00278903, 0.00266163]) params.addRow(['f4.A0', -0.00278903, 0.00266163])
params.addRow(['f4.A1', 14.5313, 22.2307]) params.addRow(['f4.A1', 14.5313, 22.2307])
params.addRow(['f4.A2', -5475.01, 35984.4]) params.addRow(['f4.A2', -5475.01, 35984.4])
params.addRow(['Cost function value', 2.34392, 0]) params.addRow(['Cost function value', 2.34392, 0])
masses = [1.0079, 16.0, 27.0, 133.0] masses = [1.0079, 16.0, 27.0, 133.0]
profiles = "function=GramCharlier,hermite_coeffs=[1, 0, 0],k_free=0,sears_flag=1,width=[2, 5, 7];function=Gaussian,width=10;function=Gaussian,width=13;function=Gaussian,width=30" profiles = "function=GramCharlier,hermite_coeffs=[1, 0, 0],k_free=0,sears_flag=1,width=[2, 5, 7];function=Gaussian,width=10;function=Gaussian,width=13;function=Gaussian,width=30"
corrections, corrected, linear_fit, out_ws = VesuvioCorrections(InputWorkspace=tof_ws, corrections, corrected, linear_fit, out_ws = VesuvioCorrections(InputWorkspace=tof_ws,
GammaBackground=True, GammaBackground=True,
FitParameters=params, FitParameters=params,
Masses=masses, Masses=masses,
MassProfiles=profiles, MassProfiles=profiles,
ContainerScale=0.1, ContainerScale=0.1,
GammaBackground=0.2) GammaBackground=0.2)
.. categories:: .. categories::
......
...@@ -22,31 +22,31 @@ Usage ...@@ -22,31 +22,31 @@ Usage
.. testcode:: VesuvioPreFitExample .. testcode:: VesuvioPreFitExample
###### Simulates LoadVesuvio with spectrum number 135-136 ################# ###### Simulates LoadVesuvio with spectrum number 135-136 #################
tof_ws = CreateSimulationWorkspace(Instrument='Vesuvio',BinParams=[50,0.5,562],UnitX='TOF') tof_ws = CreateSimulationWorkspace(Instrument='Vesuvio',BinParams=[50,0.5,562],UnitX='TOF')
tof_ws = CropWorkspace(tof_ws,StartWorkspaceIndex=134,EndWorkspaceIndex=135) # index one less than spectrum number tof_ws = CropWorkspace(tof_ws,StartWorkspaceIndex=134,EndWorkspaceIndex=135) # index one less than spectrum number
tof_ws = ConvertToPointData(tof_ws) tof_ws = ConvertToPointData(tof_ws)
SetInstrumentParameter(tof_ws, ParameterName='t0',ParameterType='Number',Value='0.5') SetInstrumentParameter(tof_ws, ParameterName='t0',ParameterType='Number',Value='0.5')
SetInstrumentParameter(tof_ws, ParameterName='sigma_l1', ParameterType='Number', Value='0.021') SetInstrumentParameter(tof_ws, ParameterName='sigma_l1', ParameterType='Number', Value='0.021')
SetInstrumentParameter(tof_ws, ParameterName='sigma_l2', ParameterType='Number', Value='0.023') SetInstrumentParameter(tof_ws, ParameterName='sigma_l2', ParameterType='Number', Value='0.023')
SetInstrumentParameter(tof_ws, ParameterName='sigma_tof', ParameterType='Number', Value='0.3') SetInstrumentParameter(tof_ws, ParameterName='sigma_tof', ParameterType='Number', Value='0.3')
SetInstrumentParameter(tof_ws, ParameterName='sigma_theta', ParameterType='Number', Value='0.028') SetInstrumentParameter(tof_ws, ParameterName='sigma_theta', ParameterType='Number', Value='0.028')
SetInstrumentParameter(tof_ws, ParameterName='hwhm_lorentz', ParameterType='Number', Value='24.0') SetInstrumentParameter(tof_ws, ParameterName='hwhm_lorentz', ParameterType='Number', Value='24.0')
SetInstrumentParameter(tof_ws, ParameterName='sigma_gauss', ParameterType='Number', Value='73.0') SetInstrumentParameter(tof_ws, ParameterName='sigma_gauss', ParameterType='Number', Value='73.0')
# Algorithm allows separate parameters for the foils # Algorithm allows separate parameters for the foils
SetInstrumentParameter(tof_ws, ComponentName='foil-pos0', ParameterName='hwhm_lorentz', SetInstrumentParameter(tof_ws, ComponentName='foil-pos0', ParameterName='hwhm_lorentz',
ParameterType='Number', Value='144.0') ParameterType='Number', Value='144.0')
SetInstrumentParameter(tof_ws, ComponentName='foil-pos0', ParameterName='sigma_gauss', SetInstrumentParameter(tof_ws, ComponentName='foil-pos0', ParameterName='sigma_gauss',
ParameterType='Number', Value='20.0') ParameterType='Number', Value='20.0')
SetInstrumentParameter(tof_ws, ComponentName='foil-pos1', ParameterName='hwhm_lorentz', SetInstrumentParameter(tof_ws, ComponentName='foil-pos1', ParameterName='hwhm_lorentz',
ParameterType='Number', Value='144.0') ParameterType='Number', Value='144.0')
SetInstrumentParameter(tof_ws, ComponentName='foil-pos1', ParameterName='sigma_gauss', SetInstrumentParameter(tof_ws, ComponentName='foil-pos1', ParameterName='sigma_gauss',
ParameterType='Number', Value='20.0') ParameterType='Number', Value='20.0')
########################################################################### ###########################################################################
pre_fit_workspace = VesuvioPreFit(Inputworkspace=tof_ws, Smoothing="Neighbour", pre_fit_workspace = VesuvioPreFit(Inputworkspace=tof_ws, Smoothing="Neighbour",
SmoothingOptions="NPoints=3", BadDataError=-1) SmoothingOptions="NPoints=3", BadDataError=-1)
.. categories:: .. categories::
......
...@@ -36,7 +36,7 @@ Techniques ...@@ -36,7 +36,7 @@ Techniques
---------- ----------
.. toctree:: .. toctree::
:glob:
:maxdepth: 1 :maxdepth: 1
techniques/calibration techniques/*
techniques/PowderDiffractionISIS-v1
.. _Calibration: .. _Calibration Intro:
Calibration Calibration
=========== ===========
...@@ -8,10 +8,9 @@ Calibration ...@@ -8,10 +8,9 @@ Calibration
What is Calibration? What is Calibration?
-------------------- --------------------
Calibration is a process which determines and corrects for differences in the definition of an instrument to reality, generally conducted by performing a measurement of a reference compound under known conditions. Calibration is a process which determines and corrects for differences in the definition of an instrument to reality, generally conducted by performing a measurement of a reference compound under known conditions.
Supported Types of Calibration Supported Types of Calibration
------------------------------ ------------------------------
......
.. _Facilities File: .. _Reduction for ORNL SANS:
.. role:: xml(literal) .. role:: xml(literal)
:class: highlight :class: highlight
...@@ -41,6 +41,7 @@ Reduction script ...@@ -41,6 +41,7 @@ Reduction script
---------------- ----------------
.. code-block:: python .. code-block:: python
import mantid import mantid
from mantid.simpleapi import * from mantid.simpleapi import *
from reduction_workflow.instruments.sans.hfir_command_interface import * from reduction_workflow.instruments.sans.hfir_command_interface import *
......
...@@ -40,13 +40,13 @@ Through the presence of certain symmetry operations in certain directions, the L ...@@ -40,13 +40,13 @@ Through the presence of certain symmetry operations in certain directions, the L
Any point group can be generated by using a maximum of three symmetry operations as so-called generators using the principle described in [Shmueli84]_. According to this, any point group can be described either as a cyclic group or as a product of maximum three cyclic groups. The point group :math:`4` is an example for a group that is simply a cyclic group generated from a positive four fold rotation axis along the :math:`z`-axis, which has the order 4. Any point group can be generated by using a maximum of three symmetry operations as so-called generators using the principle described in [Shmueli84]_. According to this, any point group can be described either as a cyclic group or as a product of maximum three cyclic groups. The point group :math:`4` is an example for a group that is simply a cyclic group generated from a positive four fold rotation axis along the :math:`z`-axis, which has the order 4.
.. math:: .. math::
G = \left\{{4^{+}}^0, {4^{+}}^1, {4^{+}}^2, {4^{+}}^3\right\} = \left\{1, 4^{+}, 2, 4^{-}\right\} G = \left\{{4^{+}}^0, {4^{+}}^1, {4^{+}}^2, {4^{+}}^3\right\} = \left\{1, 4^{+}, 2, 4^{-}\right\}
So by specifying one single symmetry operation as generator, all symmetry operations of the point group in question are generated. From this it's convenient to expand the example to generate a point group that can be expressed as the product of two cyclic groups - :math:`4/m`. In this point group, an additional mirror plane is present perpendicular to the four fold axis. The point group can be expressed as product of :math:`4` shown above and a cyclic group generated by the symmetry operation :math:`m` (mirror plane perpendicular to :math:`z`): So by specifying one single symmetry operation as generator, all symmetry operations of the point group in question are generated. From this it's convenient to expand the example to generate a point group that can be expressed as the product of two cyclic groups - :math:`4/m`. In this point group, an additional mirror plane is present perpendicular to the four fold axis. The point group can be expressed as product of :math:`4` shown above and a cyclic group generated by the symmetry operation :math:`m` (mirror plane perpendicular to :math:`z`):
.. math:: .. math::
G' = G \cdot \left\{m^0, m^1\right\} = \left\{1, 4^{+}, 2, 4^{-}\right\} \cdot \left\{1, m\right\} = \left\{1, m, 4^{+}, \bar{4}^{+}, 2, \bar{1}, 4^{-}, \bar{4}^{-}\right\} G' = G \cdot \left\{m^0, m^1\right\} = \left\{1, 4^{+}, 2, 4^{-}\right\} \cdot \left\{1, m\right\} = \left\{1, m, 4^{+}, \bar{4}^{+}, 2, \bar{1}, 4^{-}, \bar{4}^{-}\right\}
This means that :math:`4/m` contains an inversion center as well as a four fold rotoinversion axis which result from the combination of the operations of the two cyclic groups. It's also possible to use a different cyclic group to achive the same result (:math:`\bar{1}`). As mentioned above, for some point groups it's necessary to use three generators, which follows the same principle and is not shown here. This means that :math:`4/m` contains an inversion center as well as a four fold rotoinversion axis which result from the combination of the operations of the two cyclic groups. It's also possible to use a different cyclic group to achive the same result (:math:`\bar{1}`). As mentioned above, for some point groups it's necessary to use three generators, which follows the same principle and is not shown here.
......
...@@ -56,7 +56,6 @@ The peak functions (shapes): ...@@ -56,7 +56,6 @@ The peak functions (shapes):
* :ref:`BackToBackExponential<func-BackToBackExponential>` (used in EnggFitPeaks, to fit the peaks when accuracy is needed) * :ref:`BackToBackExponential<func-BackToBackExponential>` (used in EnggFitPeaks, to fit the peaks when accuracy is needed)
* :ref:`Gaussian<func-Gaussian>` (used in FindPeaks when the a quick validation is needed, but fit accuracy is not vital) * :ref:`Gaussian<func-Gaussian>` (used in FindPeaks when the a quick validation is needed, but fit accuracy is not vital)
* :ref:`Bk2BkExpConvPV <func-Bk2BkExpConvPV>` (is the Mantid equivalent to the function used in GSAS).
File Formats File Formats
############ ############
......
...@@ -28,10 +28,10 @@ directly: ...@@ -28,10 +28,10 @@ directly:
This function requires some inputs and allow for some optional This function requires some inputs and allow for some optional
parameters as well. The minimum set of parameters required are: parameters as well. The minimum set of parameters required are:
* The workspace whose instrument is based on tubes (ws), where the counts in the tube pixels have been integrated - The workspace whose instrument is based on tubes (ws), where the counts in the tube pixels have been integrated
* Definition of the set of tubes to be calibrated (tubeSet) - Definition of the set of tubes to be calibrated (tubeSet)
* The position of the known points (knownPositions) - The position of the known points (knownPositions)
* The shape of the known points (funcForm). Currently, we accept two shapes identified as 1 for :ref:`Gaussian <func-Gaussian>` and 2 for Edges. - The shape of the known points (funcForm). Currently, we accept two shapes identified as 1 for :ref:`Gaussian <func-Gaussian>` and 2 for Edges.
Parameter: Workspace Parameter: Workspace
#################### ####################
...@@ -53,8 +53,7 @@ The second step is to define what are the tubes to be calibrated ...@@ -53,8 +53,7 @@ The second step is to define what are the tubes to be calibrated
(**tubeSet**). This parameter accepts the following inputs: (**tubeSet**). This parameter accepts the following inputs:
* As single string that defines a set of tubes * As single string that defines a set of tubes
(e.g. MERLIN/door2/tube_1_1), door (e.g. MAPS/A1_window), or the whole instrument (e.g. MERLIN/door2/tube_1_1), door (e.g. MAPS/A1_window), or the whole instrument (e.g. MAPS)
(e.g. MAPS)
* A list of strings (e.g. [MERLIN/door2/tube_1_1, MERLIN/door2/tube_1_2], [MERLIN/door1, MERLIN/door2]) * A list of strings (e.g. [MERLIN/door2/tube_1_1, MERLIN/door2/tube_1_2], [MERLIN/door1, MERLIN/door2])
* A `TubeSpec <TubeSpec>`__ object. * A `TubeSpec <TubeSpec>`__ object.
......
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  • 2-up
  • Swipe
  • Onion skin
...@@ -59,10 +59,10 @@ Action Buttons ...@@ -59,10 +59,10 @@ Action Buttons
.. categories:: Interfaces DynamicPDF .. categories:: Interfaces DynamicPDF
Developer's Corner Developer's Corner
---------------- ------------------
Diagrams Diagrams
~~~~~~~~~~~~~~~~~~~~~ ~~~~~~~~
.. diagram:: DPDFBackgroundRemover_mainComponents.dot .. diagram:: DPDFBackgroundRemover_mainComponents.dot
......
...@@ -48,10 +48,9 @@ This tab provides a graphical interface to calculate calibrations and ...@@ -48,10 +48,9 @@ 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
calibration) - generate a new calibration file (which becomes the new current calibration)
- load an existing calibration from a GSAS instrument - load an existing calibration from a GSAS instrument parameters file previously generated
parameters file previously generated
For the current calibration, the following parameters are displayed: For the current calibration, the following parameters are displayed:
the vanadium run number, the calibration sample run number, and the the vanadium run number, the calibration sample run number, and the
...@@ -291,6 +290,8 @@ To use the Fitting tab, user is required to provide: ...@@ -291,6 +290,8 @@ To use the Fitting tab, user is required to provide:
2. List of expected peaks which can be either by browsing a (*CSV*) file 2. List of expected peaks which can be either by browsing a (*CSV*) file
or entering within the text-field simply click on the Fit button. or entering within the text-field simply click on the Fit button.
.. _ExpectedPeaks-Engineering_Diffraction-ref:
Parameters Parameters
^^^^^^^^^^ ^^^^^^^^^^
...@@ -312,8 +313,6 @@ Focused Run #: ...@@ -312,8 +313,6 @@ Focused Run #:
The interface will then automatically update the Plot Bank combo-box The interface will then automatically update the Plot Bank combo-box
according to the bank files found for each entered/selected run-number. according to the bank files found for each entered/selected run-number.
.. _ExpectedPeaks-Engineering_Diffraction-ref:
Peaks: Peaks:
A list of dSpacing values to be translated into TOF to find expected A list of dSpacing values to be translated into TOF to find expected
peaks. These peaks can be manually written or imported by selecting a peaks. These peaks can be manually written or imported by selecting a
......
...@@ -29,7 +29,7 @@ To overplot the calculated Q-E trajectories, set the "Plot Over" check box. ...@@ -29,7 +29,7 @@ To overplot the calculated Q-E trajectories, set the "Plot Over" check box.
The plot range is from Emin to Ei for direct, and from -Ef to Emax for indirect The plot range is from Emin to Ei for direct, and from -Ef to Emax for indirect
geometry spectrometers, and Emin and Emax may be inputted in the appropriate text geometry spectrometers, and Emin and Emax may be inputted in the appropriate text
box. If this box is left empty, Emin=-|Ei| (Emax=|Ef|) is set automatically for box. If this box is left empty, Emin=-Ei (Emax=Ef) is set automatically for
direct (indirect) geometry. direct (indirect) geometry.
You can choose to create a 1D Mantid workspace for latter plotting using the You can choose to create a 1D Mantid workspace for latter plotting using the
......
...@@ -174,19 +174,18 @@ where: ...@@ -174,19 +174,18 @@ where:
or directory is synchronized (at least partially) between the remote or directory is synchronized (at least partially) between the remote
compute resource and the (local) instrument analysis machine. compute resource and the (local) instrument analysis machine.
* *RB987654321* is the experiment reference number (or so-called RB * *RB987654321* is the experiment reference number (or so-called RB number) which usually starts with the prefix "RB".
number) which usually starts with the prefix "RB".
* *experiment_foo* is a name given by the user to the particular * *experiment_foo* is a name given by the user to the particular
experiment the data comes from. This is specified in free form. experiment the data comes from. This is specified in free form.
* inside the path there will normally be at least three folders or * inside the path there will normally be at least three folders or subdirectories for the sample, flat, and dark images:
subdirectories for the sample, flat, and dark images:
- data - data
- flat - flat
- dark - dark
As the files are mirrored on the remote computer cluster, if a network As the files are mirrored on the remote computer cluster, if a network
drive have been added (or mapped) in the local system, for example drive have been added (or mapped) in the local system, for example
using the drive "S:", then the following path would contain a similar using the drive "S:", then the following path would contain a similar
...@@ -364,7 +363,7 @@ Energy bands ...@@ -364,7 +363,7 @@ Energy bands
Here it is possible to aggregate stacks of images normally acquired as Here it is possible to aggregate stacks of images normally acquired as
energy/wavelength selective data. This interface is based on the energy/wavelength selective data. This interface is based on the
algorithm :ref:`ImggAggWavelengths <algm-ImggAggWavelengths>` which algorithm :ref:`ImggAggregateWavelengths <algm-ImggAggregateWavelengths>` which
supports different ways of aggregating the input images. In the supports different ways of aggregating the input images. In the
simplest case, a number of output bands can be produced by aggregating simplest case, a number of output bands can be produced by aggregating
the input bands split into uniform segments. This is called "uniform the input bands split into uniform segments. This is called "uniform
...@@ -377,8 +376,8 @@ could by produced by specifying the ranges as "0-499, 250-749, ...@@ -377,8 +376,8 @@ could by produced by specifying the ranges as "0-499, 250-749,
500-999". In principle it is also possible to aggregate images by time 500-999". In principle it is also possible to aggregate images by time
of flight ranges, based on specific extension headers that must be of flight ranges, based on specific extension headers that must be
included in the input (FITS) images. This option is disabled at the included in the input (FITS) images. This option is disabled at the
moment. Please refer to the documentation of :ref:`ImggAggWavelengths moment. Please refer to the documentation of :ref:`ImggAggregateWavelengths
<algm-ImggAggWavelengths>` for lower level details on how the <algm-ImggAggregateWavelengths>` for lower level details on how the
algorithm processes the input directories and files. algorithm processes the input directories and files.
.. figure:: /images/tomo_tab7_energy_bands.png .. figure:: /images/tomo_tab7_energy_bands.png
......
...@@ -7,16 +7,38 @@ Diffraction Changes ...@@ -7,16 +7,38 @@ Diffraction Changes
Documentation Documentation
------------- -------------
- The documentation for all calibration approaches, including Powder diffraction, single crystal and engineering calibrations has been pulled together, and expanded :ref:`here <Calibration Intro>`.
- The documentation for all calibration approaches, including Powder diffraction, single crystal and engineering calibrations has been pulled together, and expanded :ref:`here<Calibration>`. Powder Diffraction
------------------
- :ref:`PDFFourierTransform <algm-PDFFourierTransform>` has been corrected in its calculation of errors.
Powder Diffraction Scripts
##########################
- Pearl powder diffraction has been integrated and can be found
`scripts/PearlPowderISIS`. The routines/script has been differentiated from
the long list of directories of calibration and raw files. The calibration
directories can be found in a file by the name of pearl_calib_factory.py,
whereas the raw directories can be found in a file by the name of
pearl_cycle_factory.py.
- PowderISIS script has been renamed to CryPowderISIS and can be found within
the following folder `scripts/CryPowderISIS`
- :ref:`pearl-powder-diffraction-ref` documentation has been implemented and
PowderISIS script documentation has been renamed to
:ref:`cry-powder-diffraction-ref`
Crystal Improvements Single Crystal Improvements
-------------------- ---------------------------
- :ref:`SCDCalibratePanels <algm-SCDCalibratePanels>` has parameter errors reduced, - :ref:`SCDCalibratePanels <algm-SCDCalibratePanels>` has parameter errors reduced,
option for simplex minimization, and 3 new workspaces which can plot calculated an option for simplex minimization, and 3 new workspaces which can plot calculated
vs theoretical columns, rows, and TOF for each bank. Calibration is now as good vs theoretical columns, rows, and TOF for each bank. Calibration is now as good
as ISAW's for Mandi data. as ISAW's for Mandi data.
- 5 detectors added to the MANDI instrument geometry - 5 detectors added to the MANDI instrument geometry
- :ref:`LoadCIF <algm-LoadCIF>` can now also load structures where only anisotropic displacement parameters are given, - :ref:`LoadCIF <algm-LoadCIF>` can now also load structures where only anisotropic displacement parameters are given,
which are converted to equivalent isotropic parameters. which are converted to equivalent isotropic parameters.
...@@ -54,7 +76,8 @@ Engineering Diffraction ...@@ -54,7 +76,8 @@ Engineering Diffraction
- New algorithm :ref:`SaveNexusPD <algm-SaveNexusPD>` which creates a nexus file for use in GUDRUN and will hopefully be supported by Rietveld packages in the future. - New algorithm :ref:`SaveNexusPD <algm-SaveNexusPD>` which creates a nexus file for use in GUDRUN and will hopefully be supported by Rietveld packages in the future.
Graphical user interface: Graphical user interface
########################
- Vanadium Curves and Ceria Peaks graphs are plotted once basic and cropped - Vanadium Curves and Ceria Peaks graphs are plotted once basic and cropped
calibration process has been carried out calibration process has been carried out
...@@ -97,8 +120,7 @@ Imaging ...@@ -97,8 +120,7 @@ Imaging
- The new algorithm :ref:`ImggAggregateWavelengths <algm-ImggAggregateWavelengths>` - The new algorithm :ref:`ImggAggregateWavelengths <algm-ImggAggregateWavelengths>`
aggregates stacks of images from wavelength dependent data. aggregates stacks of images from wavelength dependent data.
- The algorithm `ImggTomographicReconstruction - The algorithm `ImggTomographicReconstruction <algm-ImggTomographicReconstruction>` has been introduced. This is a
<algm-ImggTomographicReconstruction>` has been introduced. This is a
first experimental version that implements the Filtered first experimental version that implements the Filtered
Back-Projection (FBP) reconstruction method using the FBP Back-Projection (FBP) reconstruction method using the FBP
implementation of the `TomoPy package implementation of the `TomoPy package
...@@ -107,7 +129,8 @@ Imaging ...@@ -107,7 +129,8 @@ Imaging
using the algorithm :ref:`SaveFITS <algm-SaveFITS>`. using the algorithm :ref:`SaveFITS <algm-SaveFITS>`.
Improvements in the tomographic reconstruction graphical user interface: Improvements in the tomographic reconstruction graphical user interface
#######################################################################
- New capabilities added when visualizing stacks of images: - New capabilities added when visualizing stacks of images:
...@@ -131,28 +154,7 @@ Improvements in the tomographic reconstruction graphical user interface: ...@@ -131,28 +154,7 @@ Improvements in the tomographic reconstruction graphical user interface:
<algm-ImggAggregateWavelengths>`. <algm-ImggAggregateWavelengths>`.
Powder Diffraction
------------------
- :ref:`PDFFourierTransform <algm-PDFFourierTransform>` has been corrected in its calculation of errors.
Powder Diffraction Scripts
--------------------------
- Pearl powder diffraction has been integrated and can be found
`scripts/PearlPowderISIS`. The routines/script has been differentiated from
the long list of directories of calibration and raw files. The calibration
directories can be found in a file by the name of pearl_calib_factory.py,
whereas the raw directories can be found in a file by the name of
pearl_cycle_factory.py.
- PowderISIS script has been renamed to CryPowderISIS and can be found within
the following folder `scripts/CryPowderISIS`
- :ref:`pearl-powder-diffraction-ref` documentation has been implemented and
PowderISIS script documentation has been renamed to
:ref:`cry-powder-diffraction-ref`
Full list of `diffraction <http://github.com/mantidproject/mantid/pulls?q=is%3Apr+milestone%3A%22Release+3.7%22+is%3Amerged+label%3A%22Component%3A+Diffraction%22>`_ Full list of `diffraction <http://github.com/mantidproject/mantid/pulls?q=is%3Apr+milestone%3A%22Release+3.7%22+is%3Amerged+label%3A%22Component%3A+Diffraction%22>`_
and and
......
...@@ -9,18 +9,18 @@ Improvements ...@@ -9,18 +9,18 @@ Improvements
------------ ------------
- New CNCS formula to calculate T0 accounts for different phasing of the choppers since August 2015 - New CNCS formula to calculate T0 accounts for different phasing of the choppers since August 2015
- The documentation for all calibration approaches, including PSD tube calibration has been pulled together :ref:`here<Calibration>` - The documentation for all calibration approaches, including PSD tube calibration has been pulled together :ref:`here <Calibration Intro>`.
- Many improvements have been made to the VATES command line interface, these are detailed in the :ref:`Framework section <R3.7 Vates CLI>` of the release notes.
`Full list of changes on GitHub <http://github.com/mantidproject/mantid/pulls?q=is%3Apr+milestone%3A%22Release+3.7%22+is%3Amerged+label%3A%22Component%3A+Direct+Inelastic%22>`_
Crystal Field Crystal Field
------------- -------------
FOCUS fortran program that fits crystal field parameters is being translated into Mantid (C++ and python). - A fitting function was added (:ref:`CrystalFieldSpectrum <func-CrystalFieldSpectrum>`) that fits crystal field parameters to a spectrum. It is based on fortran program FOCUS which was translated into C++.
The release notes on this work will go here.
Phonon DOS Phonon DOS
---------- ----------
The old PySlice routine to compute the phonon DOS from powder data using the incoherent approximation has The old PySlice routine to compute the phonon DOS from powder data using the incoherent approximation has
been ported and is now a Mantid Python Algorithm :ref:`ComputeIncoherentDOS <algm-ComputeIncoherentDOS` been ported and is now a Mantid Python Algorithm :ref:`ComputeIncoherentDOS <algm-ComputeIncoherentDOS>`.
`Full list of changes on GitHub <http://github.com/mantidproject/mantid/pulls?q=is%3Apr+milestone%3A%22Release+3.7%22+is%3Amerged+label%3A%22Component%3A+Direct+Inelastic%22>`_
\ No newline at end of file
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