From d36c42a7fc5d50b0980a6010fac0836aa21a358b Mon Sep 17 00:00:00 2001 From: Keith Butler <keith.butler@stfc.ac.uk> Date: Wed, 18 Jul 2018 13:42:19 +0100 Subject: [PATCH] Re #22966 reworked section on sequential fitting --- .../interfaces/Indirect Data Analysis.rst | 68 ++++++++++++------- 1 file changed, 45 insertions(+), 23 deletions(-) diff --git a/docs/source/interfaces/Indirect Data Analysis.rst b/docs/source/interfaces/Indirect Data Analysis.rst index 9904636ca39..d549f14ff71 100644 --- a/docs/source/interfaces/Indirect Data Analysis.rst +++ b/docs/source/interfaces/Indirect Data Analysis.rst @@ -129,6 +129,8 @@ Options Note: common options are detailled in the :ref:`qens-fitting-features` section. +Note: sequential fitting is available, options are detailed in the :ref:`sequential-fitting-section` section. + Sample A file that has been created using the Elwin tab with an :math:`x` axis of :math:`Q`. Alternatively, a workspace may be provided. @@ -169,6 +171,9 @@ Plot Result Save Result If enabled the result will be saved as a NeXus file in the default save directory. + +Tiled Plot + Produces a tiled plot of the output workspaces generated. Monte Carlo Error Calculation - Number Of Iterations The number of iterations to perform in the Monte Carlo routine for error @@ -201,22 +206,14 @@ I(Q, t) Fit provides a simplified interface for controlling various fitting functions (see the :ref:`Fit <algm-Fit>` algorithm for more info). The functions are also available via the fit wizard. -Additionally, in the bottom-right of the interface there are options for doing a -sequential fit. This is where the program loops through each spectrum in the -input workspace, using the fitted values from the previous spectrum as input -values for fitting the next. This is done by means of the -:ref:`IqtFitSequential <algm-IqtFitSequential>` algorithm. - -A sequential fit is run by clicking the Run button at the bottom of the tab, a -single fit can be done using the Fit Single Spectrum button underneath the -preview plot. - Options ~~~~~~~ Note: common options are detailled in the :ref:`qens-fitting-features` section. -Input +Note: sequential fitting is available, options are detailed in the :ref:`sequential-fitting-section` section. + +Sample Either a file (*_iqt.nxs*) or workspace (*_iqt*) that has been created using the Iqt tab. @@ -327,7 +324,9 @@ formula :math:`((x * 11.606) / T) / (1 - exp(-((x * 11.606) / T)))` where Options ~~~~~~~ -Note: common options are detailled in the :ref:`qens-fitting-features` section. +Note: common options are detailed in the :ref:`qens-fitting-features` section. + +Note: sequential fitting is available, options are detailed in the :ref:`sequential-fitting-section` section. Sample Either a reduced file (*_red.nxs*) or workspace (*_red*) or an :math:`S(Q, @@ -556,17 +555,6 @@ a separate plotting window. The 'Plot Guess' check-box can be used to enable/disable the guess curve in the top preview plot. -Spectrum Selection -~~~~~~~~~~~~~~~~~~ - -Below the preview plots, the spectra to be fit can be selected. The 'Fit Spectra' drop-down menu allows for -selecting either 'Range' or 'String'. If 'Range' is selected, you are able to select a range of spectra to fit by -providing the upper and lower bounds. If 'String' is selected you can provide the spectra to fit in a text form. -When selecting spectra using text, you can use '-' to identify a range and ',' to separate each spectrum/range. - -:math:`X`-Ranges may be excluded from the fit by selecting a spectrum next to the 'Mask Bins of Spectrum' label and -then providing a comma-separated list of pairs, where each pair designates a range to exclude from the fit. - Output ~~~~~~ @@ -609,6 +597,40 @@ Convergence Criteria Acceptance Rate The desired percentage acceptance of new parameters (see *JumpAcceptanceRate* in :ref:`FABADA` documentation) + +.. _sequential-fitting-section: + +Sequential Fitting +------------------ + +Three of the fitting interfaces allow sequential fitting of several spectra: + +* MSD Fit +* I(Q, T) Fit +* ConvFit + +At the bottom of the interface there are options for doing a +sequential fit. This is where the program loops through each spectrum in the +input workspace, using the fitted values from the previous spectrum as input +values for fitting the next. This is done by means of the +:ref:`IqtFitSequential <algm-IqtFitSequential>` algorithm. + +A sequential fit is run by clicking the Run button at the bottom of the tab, a +single fit can be done using the Fit Single Spectrum button underneath the +preview plot. + +Spectrum Selection +~~~~~~~~~~~~~~~~~~ + +Below the preview plots, the spectra to be fit can be selected. The 'Fit Spectra' drop-down menu allows for +selecting either 'Range' or 'String'. If 'Range' is selected, you are able to select a range of spectra to fit by +providing the upper and lower bounds. If 'String' is selected you can provide the spectra to fit in a text form. +When selecting spectra using text, you can use '-' to identify a range and ',' to separate each spectrum/range. + +:math:`X`-Ranges may be excluded from the fit by selecting a spectrum next to the 'Mask Bins of Spectrum' label and +then providing a comma-separated list of pairs, where each pair designates a range to exclude from the fit. + + .. categories:: Interfaces Indirect -- GitLab