diff --git a/docs/source/release/v4.3.0/diffraction.rst b/docs/source/release/v4.3.0/diffraction.rst index ab8a9a243d07c6185896359e13f096cca42fbd5d..a9cd22c9f5ce0aa3f929fddea74e53e12dfa20bb 100644 --- a/docs/source/release/v4.3.0/diffraction.rst +++ b/docs/source/release/v4.3.0/diffraction.rst @@ -23,6 +23,7 @@ Powder Diffraction - The create_total_scattering_pdf merging banks no longer matches spectra with scale, it now only matches with offset. - The Polaris create_total_scattering_pdf can now be given an parameter `output_binning` that will be used to rebin the output_pdf. - The polaris create_total_scattering_pdf function can now accept a `pdf_type` argument to set the pdf_output type. +- The polaris create_total_scattering_pdf function can now accept a `freq_params` argument to perfomr a fourier filter on the run. - :ref:`HRPDSlabCanAbsorption <algm-HRPDSlabCanAbsorption-v1>` now accepts any thickness parameter and not those in a specified list. Engineering Diffraction @@ -50,6 +51,7 @@ Powder Diffraction - A bug has been fixed that prevented unicode strings being given as a lim file directory in polaris create_total_scattering_pdf merging banks. - A bug has been fixed that caused Polaris.focus to fail with `do_absorption_Corrections=True`. - A bug has been fixed that caused empty runs to be subtracted twice when specifying `sample_empty` in `Polaris.focus`. +- A bug has been fixed that prevented lists being given for `q_lims` in polaris create_total_scattering_pdf while merging banks. Engineering Diffraction ----------------------- diff --git a/docs/source/techniques/ISISPowder-Polaris-v1.rst b/docs/source/techniques/ISISPowder-Polaris-v1.rst index 52db29fca0168d4bdc08a1e53bac73291a00ecc6..fafe7a19440ed97d24096d5b415f2003d78d75dc 100644 --- a/docs/source/techniques/ISISPowder-Polaris-v1.rst +++ b/docs/source/techniques/ISISPowder-Polaris-v1.rst @@ -167,16 +167,6 @@ create_total_scattering_pdf The *create_total_scattering_pdf* method allows a user to create a Pair Distribution Function (PDF) from focused POLARIS data, with a view performing further total scattering analysis. -With no merging criteria specified, *merge_banks=False* a PDF will be generated for each bank within -the focused_workspace. The type of PDF output can be set with the keyword argument `pdf_type`, with the -option of `G(r)`, `g(r)`, `RDF(r)` (defaults to `G(r)`). If run with *merge_banks=True* a PDF will be -generated based on the weighted sum of the detector banks performed using supplied Q limits -*q_lims=q_limits*, Q_limits can be in the form of a numpy array with shape (2, x) where x is the number -of detectors, or a string containing the directory of an appropriately formatted `.lim` file. - -This function can also be called with the argument `output_binning` which will rebin the output PDF as -with the rebin algorithm. - This function applies the placzek self scattering correction from :ref:CalculatePlaczekSelfScattering <algm-CalculatePlaczekSelfScattering> before calculating the PDF @@ -191,6 +181,19 @@ for example: Or the focused file must be in the output directory of the POLARIS instrument. +The output PDF can be customized with the following parameters: + +- By calling with `pdf_type` the type of PDF output can be specified, with the option of `G(r)`, + `g(r)`, `RDF(r)` (defaults to `G(r)`). +- By calling with `merge_banks=True` a PDF will be generated based on the weighted sum of the detector + banks performed using supplied Q limits `q_lims=q_limits`, q_limits can be in the form of an array or + with shape (2, x) where x is the number of detectors, or a string containing the directory + of an appropriately formatted `.lim` file. By default or specifically called with `merge_banks=False` + a PDF will be generated for each bank within the focused_workspace. +- By calling with `output_binning` which will rebin the output PDF as with the rebin algorithm. +- By calling with `freq_params` a fourier filter will be performed on the focused signal removing any + components from atomic distances outside of the parameters. The parameters must be given as list: + [lower], or [lower, upper]. Example ======= @@ -198,7 +201,11 @@ Example .. code-block:: python polaris_example.create_total_scattering_pdf(run_number='12345', - merge_banks=False) + merge_banks=True, + q_lims=[[2.5, 3, 4, 6, 7], [3.5, 5, 7, 11, 40]], + output_binning=[0,0.1,20], + pdf_type='G(r)', + freq_params=[1]) .. _calibration_mapping_polaris-isis-powder-ref: