From 2a72af0a99899a9f11413f760be043f0b83b7617 Mon Sep 17 00:00:00 2001
From: preischig <preischig@gmail.com>
Date: Tue, 13 Jan 2015 13:06:33 +0100
Subject: [PATCH] Added theta update according to beam energy.
Signed-off-by: preischig <preischig@gmail.com>
---
1_preprocessing/gtFillCrystFields.m | 21 +++++++++++++++++++++
1 file changed, 21 insertions(+)
diff --git a/1_preprocessing/gtFillCrystFields.m b/1_preprocessing/gtFillCrystFields.m
index 8234d39b..b4a62ee0 100644
--- a/1_preprocessing/gtFillCrystFields.m
+++ b/1_preprocessing/gtFillCrystFields.m
@@ -52,6 +52,11 @@ while (~phase_ok)
if (ismember(lower(test), {'y', 'yes'}))
%%%% get complete information from another parameters file %%%%%
parameters = sfGetInfoFromParameters(parameters, phase_ndx);
+
+ % Update reflections for actual photon energy
+ % !!! intensity missing, but it is not yet used in the processing
+ parameters.cryst = sfUpdateReflections(parameters.cryst, parameters.acq.energy);
+
% this is a "new" experiment, set up the names and read from the datafile
fprintf('Please modify the description for this phase (%d)\n', phase_ndx);
parameters = sfModifyMaterialDescription(parameters, phase_ndx);
@@ -356,4 +361,20 @@ function parameters = sfGetSymmCrystInfo(parameters, phase_id)
end % end of sfGetSymmCrystInfo
+function cryst = sfUpdateReflections(cryst, energy)
+% Updates the reflection data according to a new photon energy
+ % Update the d-spacing info in cryst according to new lattice parameters.
+ % Bmat = gtCrystHKL2CartesianMatrix(cryst.latticepar);
+ % cryst.dspacing = gtCrystDSpacing(cryst.hkl, Bmat);
+ % cryst.dspacingsp = gtCrystDSpacing(cryst.hklsp, Bmat);
+
+ % Update the theta info according to new photon energy
+ lambda = gtConvEnergyToWavelength(energy);
+ cryst.theta = asind(0.5*lambda./cryst.dspacing);
+ cryst.thetasp = asind(0.5*lambda./cryst.dspacingsp);
+
+ % Update the intensity info: MISSING !
+ cryst.int = [];
+ cryst.intsp = [];
+end
--
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