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Reet (talk | contribs)
DCH-Employees-701, NLAB-Employees-701, NLAB-LabmanagerAllUsers, NLAB-Nlab347-labadviser-users-35231
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===Rocking Curves===
===Rocking Curves===
Three modes are available for Rocking Curve analysis: ''Evaluation and Fit'', ''Evaluation'', or ''Fit''. The procedure differs only slightly from one to the other.  
Three modes are available for Rocking Curve analysis: ''Evaluation and Fit'', ''Evaluation'', or ''Fit''. The procedure differs only slightly from one to the other.  
'''How to analyze Rocking Curves:'''
'''How to analyze Rocking Curves:'''
# Load data:
# Load data:
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##Define Graded Layers if any.
##Define Graded Layers if any.
##Define Super Lattices if any.
##Define Super Lattices if any.
##Link layers (formula is of the type th[1], for linking thickness to layer L1)).
##Link layers (formula is of the type th[1] for linking thickness to layer L1)).
#Set peak parameters and Evaluate:
#Set peak parameters and Evaluate:
##Associate peaks with layers or substrate.
##Associate peaks with layers or substrate.
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##Select the scan type and the range for simulation.
##Select the scan type and the range for simulation.
##Click Auto in Horizontal transform to align the offset in 2θ.
##Click Auto in Horizontal transform to align the offset in 2θ.
##In Vertical transform, chose the background type and click auto to add a background function to the simulation.
##In Vertical transform, chose the background type and click "Auto" to add a background function to the simulation.
##Optional add the some of the values as fitting parameters.
##Optionally add some of the values as fitting parameters.
#Set fit algorithm and run tit
#Set fit algorithm and run fit
##Select the Fit method. Genetic Algorithm is for global optimization, while the two others are local optimizations.
##Select the Fit method. Genetic Algorithm is for global optimization, while the two others are local optimizations.
##Change fit method parameters and settings as needed.
##Change fit method parameters and settings as needed.
##If wanted set an instrumental function in the tab below the fit parameters window.
##Optionally set an instrumental function in the tab below the fit parameters window.


===Reciprocal Space Mapping===
===Reciprocal Space Mapping===
For RSM data analysis use the RSM flow in the HRXDR plugin.
For RSM data analysis use the RSM flow in the HRXDR plugin.
'''How to fit RSM data:'''
'''How to fit RSM data:'''
#Load data:
#Load data:
##On the chart toolbar, plot options can be change, of note it is possible to change between angular and reciprocal space coordinates.
##On the chart toolbar, plot options can be changed. Note that it is possible to change between angular and reciprocal space coordinates.
#Smoothing and background subtraction:
#Smoothing and background subtraction:
##The data can be smoothed, by weighted average of nearby neighbors.
##The data can be smoothed by weighted average of nearby neighbors.
##Background subtraction either in the form of a fitted background or a constant value is possible.
##Background subtraction either in the form of a fitted background or a constant value is possible.
#Search peaks
#Search peaks
##Chose the settings for peak search.
##Choose the settings for peak search.
##Verify the Peaks for Evaluation list.
##Verify the Peaks for Evaluation list.
#Configure sample model:
#Configure sample model:
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##Define Graded Layers if any.
##Define Graded Layers if any.
##Define Super Lattices if any.
##Define Super Lattices if any.
##Link layers, formula is of the type th[1], for linking thickness to layer L1.
##Link layers (formula is of the type th[1] for linking thickness to layer L1).
#Generate hkl:
#Generate ''hkl'':
##Set the rotation angle, ϕ, of the substrate.
##Set the rotation angle, ϕ, of the substrate.
##Set the tilt of the substrate, χ, for an in-plane measurement, it is called 2θχ.
##Set the tilt of the substrate, χ, for an in-plane measurement, it is called 2θχ.
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===RS viewer===
===RS viewer===
The RS viewer (reciprocal space viewer) is an utility for simulating and viewing the reciprocal space for one or more materials at a time. In the old software this was called 'Diffraction Space Simulation'. The utility is handy for finding 2θ angles, and how to position the goniometer for measuring in a skewed geometry. It can be opened from either the XRD Measurement tab (only on computers connected to a measurement tool) or from the HRXRD tab by clicking the button on the top ribbon.
The RS viewer (reciprocal space viewer) is an utility for simulating and viewing looking up theoretical 2θ angles and finding out how to position the goniometer for measuring in a skewed geometry. It can be opened from either the XRD Measurement tab (only on computers connected to a measurement tool) or from the HRXRD tab by clicking the button in the top ribbon.
 
In the RS viewer it is possible to make a sample model consisting of substrates and a number of layers on top. Unfortunately it is not possible to change the concentrations of different atoms in a composition as it is in the HRXRD sample building. But for each layer it is possible to change sample axis, e. g., changing the substrate normal from (0 0 1) to (1 1 1).  


In the RS viewer it is possible to make a sample model consisting of substrates and a number of layers on top. Unfortunately it is not possible to change the concentrations of different atoms in a composition as it is in the HRXRD sample building. But for each layer it is possible to change sample axis, e. g. changing the substrate normal from (0 0 1) to (1 1 1). Using the RS viewer for setting up Reciprocal space mapping (RSM) is done in this way:
'''Using the RS viewer for setting up Reciprocal space mapping (RSM) is done in this way:
*Sample:
'''
**Change the substrate to the desired material.
#Sample:
**Check that 'Normal Sz' under 'Sample Axes' is correct.
##Change the substrate to the desired material.
**Add layers by right clicking on an existing layer and click Insert New Layer.
##Check that 'Normal Sz' under 'Sample Axes' is correct.
**Configure the added layer(s) with the material type and expected orientation.
##Add layers by right-clicking on an existing layer and click Insert New Layer.
*Measurement:
##Configure the added layer(s) with the material type and expected orientation. If the material you want is not present in the database, see the Materials Manager section below for how to add materials.
**Choose the goniometer geometry desired for the measurement. Often In-plane is wanted to avoid tilting the sample.
#Measurement:
**Choose if the reflection is symmetric or asymmetric for Out-of-plane (ω step).
##Choose the goniometer geometry desired for the measurement. Often In-plane is wanted to avoid tilting the sample.
**Choose X-ray target as Cu-K&alpha;<sub>1</sub>.
##Choose if the reflection is symmetric or asymmetric for Out-of-plane (&omega; step).
*Reflection information:
##Choose Cu-K&alpha;<sub>1</sub> as X-ray target
**Select the layer for measurement.
#Reflection information:
**Select the reflection for measurement, either by clicking on the simulation map or by typing in the number. Only allowed reflections in the chosen geometry are shown.
##Select the layer for measurement.
**In the reflection box, information about the reflection, like 2&theta; |F|, |F|<sup>2</sup> and the incident and reflected angles are listed.
##Select the reflection for measurement, either by clicking on the simulation map or by typing in the number. Only allowed reflections in the chosen geometry are shown.
**The five relevant axes for RSM configuration are listed below.
##In the reflection box, information about the reflection, like 2&theta;, |F|, |F|<sup>2</sup> and the incident and reflected angles are listed.
**Numbers at the left side of the slider are offsets needed for the measurement.
##The five relevant axes for RSM configuration are listed below.
**To the right it is possible to choose if the measurement should be done relative to the offset or in absolute values.
##Numbers at the left side of the slider are offsets needed for the measurement.
**For the relevant axes, the measurement range can be set.
##To the right it is possible to choose if the measurement should be done relative to the offset or in absolute values.
**At the bottom, "show area" will highlight the measurement area defined, and offsets can be sent to the goniometer, while areas can be sent to measurement configuration.
##For the relevant axes, the measurement range can be set.
##At the bottom, "show area" will highlight the measurement area defined, and offsets can be sent to the goniometer, while areas can be sent to measurement configuration.


For more information please click on ? in the RS viewer window or see [http://labmanager.dtu.dk/view_binary.php?fileId=4249 LabManager]  - requires login.
For more information please click on ? in the RS viewer window or see [http://labmanager.dtu.dk/view_binary.php?fileId=4249 LabManager]  - requires login.
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