diff --git a/docs/source/algorithms/QLRun-v1.rst b/docs/source/algorithms/QLRun-v1.rst index 7a333daf2960a72e69cd00c727e9edfd35d1a29b..fc890f0c469497c854ab4ba76b52ee0468f7649e 100644 --- a/docs/source/algorithms/QLRun-v1.rst +++ b/docs/source/algorithms/QLRun-v1.rst @@ -10,6 +10,8 @@ Description ----------- +**This algorith can only be run on windows due to f2py support and the underlying fortran code** + The model that is being fitted is that of a \delta-function (elastic component) of amplitude A(0) and Lorentzians of amplitude A(j) and HWHM W(j) where j=1,2,3. The whole function is then convolved with the resolution function. The -function and Lorentzians are intrinsically normalised to unity so that the amplitudes represent their integrated areas. For a Lorentzian, the Fourier transform does the conversion: 1/(x^{2}+\delta^{2}) \Leftrightarrow exp[-2\pi(\delta k)]. If x is identified with energy E and 2\pi k with t/\hbar where t is time then: 1/[E^{2}+(\hbar / \tau)^{2}] \Leftrightarrow exp[-t @@ -33,31 +35,10 @@ Usage resWs = Load('irs26173_graphite002_red.nxs') # Run QLRun algorithm - QLRun(Program="QL", SampleWorkspace=sampleWs, ResolutionWorkspace=resWs, MinRange=-0.547607, MaxRange=0.543216, SampleBins=1, ResolutionBins=1, Elastic=False, Background="Sloping", FixedWidth=False, UseResNorm=False, WidthFile="", Loop=True, Save=False, Plot="None") - outputName = 'samp_QLd_Workspace_0' - - # capture first fitted workspace - result_ws = mtd[outputName] - - # Print the result - print "The Y values of the first fitted workspace are:" - print "data : %.5f" %(result_ws.readY(0)[0]) - print "fit.1 : %.5f" %(result_ws.readY(1)[0]) - print "diff.1: %.5f" %(result_ws.readY(2)[0]) - print "fit.2 : %.5f" %(result_ws.readY(3)[0]) - print "diff.2: %.5f" %(result_ws.readY(4)[0]) - -Output: - -.. testoutput:: QLRunExample - :options: +NORMALIZE_WHITESPACE - - The Y values of the first fitted workspace are: - data : 0.02540 - fit.1 : 0.01906 - diff.1: -0.00635 - fit.2 : 0.01732 - diff.2: -0.00808 + fit_ws, result_ws, prob_ws = QLRun(Program='QL', SampleWorkspace=sampleWs, ResolutionWorkspace=resWs, + MinRange=-0.547607, MaxRange=0.543216, SampleBins=1, ResolutionBins=1, + Elastic=False, Background='Sloping', FixedWidth=False, UseResNorm=False, + WidthFile='', Loop=True, Save=False, Plot='None') .. categories::