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Refs #9445. Added documentation with usage example.
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Code/Mantid/docs/source/algorithms/PoldiCalculateSpectrum2D-v1.rst
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.. algorithm:: | ||
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.. summary:: | ||
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.. alias:: | ||
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.. properties:: | ||
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Description | ||
----------- | ||
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PoldiCalculateSpectrum2D is a preliminary algorithm that can be used to calculate 2D POLDI-data from a set of peaks. These must come in a table of special format, which may be generated for example by :ref:`algm-PoldiFitPeaks1D`. Furthermore, the algorithm needs a MatrixWorkspace containing raw POLDI data with correct dimensions and a proper instrument definition. | ||
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At the moment all profiles are calculated independently, using Gaussian functions. In future versions of the algorithm this will be much more flexible, including background functions. | ||
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Usage | ||
----- | ||
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.. include:: ../usagedata-note.txt | ||
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PoldiAutoCorrelation operates on a MatrixWorkspace with a valid POLDI instrument definition. The following short example demonstrates how to use the algorithm, processing data obtained from recording the spectrum of a Silicon standard material (powder). | ||
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.. testcode:: ExSilicon2D | ||
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# Load data file with Si spectrum and instrument definition | ||
raw_6904 = LoadSINQFile(Filename = "poldi2013n006904.hdf", Instrument = "POLDI") | ||
LoadInstrument(raw_6904, InstrumentName = "POLDI") | ||
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# Data needs to be truncated to correct dimensions. | ||
truncated_6904 = PoldiTruncateData(raw_6904) | ||
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# Perform correlation, peak search and fit | ||
correlated_6904 = PoldiAutoCorrelation(truncated_6904) | ||
peaks_6904 = PoldiPeakSearch(correlated_6904) | ||
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PoldiFitPeaks1D(InputWorkspace = correlated_6904, FwhmMultiples = 4.0, | ||
PeakFunction = "Gaussian", PoldiPeakTable = peaks_6904, | ||
OutputWorkspace = "peaks_refined_6904", ResultTableWorkspace = "result_table_6904", | ||
FitCharacteristicsWorkspace = "raw_fit_results_6904", | ||
FitPlotsWorkspace = "fit_plots_6904") | ||
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# Calculate a 2D spectrum using the refined peaks | ||
PoldiCalculateSpectrum2D(InputWorkspace=truncated_6904, | ||
PoldiPeakWorkspace="peaks_refined_6904", | ||
OutputWorkspace="simulated_6904") | ||
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After this step, there is a new workspace containing the simulated spectrum. It should look similar to the one in the following figure: | ||
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.. figure:: /images/PoldiAutoCorrelation_Si_2D.png | ||
:figwidth: 15 cm | ||
:align: center | ||
:alt: Raw POLDI data for Silicon powder standard (simulated). | ||
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Simulated 2D-spectrum of silicon powder. | ||
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.. categories:: |