Added theta update according to beam energy.

Signed-off-by: preischig <preischig@gmail.com>

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