Specific Process Knowledge/Characterization/XRD/SLSII analysis - Revision history

Reet: /* XRD data analysis in SmartLab Studio II */

2025-09-18T09:43:13Z

XRD data analysis in SmartLab Studio II

← Older revision		Revision as of 11:43, 18 September 2025
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	'''Plugins''' available for data treatment are listed below. Each plugin is named by the data treatment type.		'''Plugins''' available for data treatment are listed below. Each plugin is named by the data treatment type.

	'''Help functions''' included in the program usually give a good overview of the options available when setting up fitting. You can access the relevant help sections by clicking on the small question mark in the pane you want to know more about. The exception is that ~~due to a bug the question-mark-click-for-help function does not work~~ in the software in the cleanroom~~, but~~ it should work on your computer~~. If~~ it doesn't, you can find the full help documents on the Cleanroom~~-drive - ask staff for details~~.		'''Help functions''' included in the program usually give a good overview of the options available when setting up fitting. In many cases they also explain a bit of the theory applied. You can access the relevant help sections by clicking on the small question mark in the pane you want to know more about. The exception is that in the software in the cleanroom the question marks do not work properly (the computer is running a very early version of SLSII and it seems that the help function was not yet properly integrated). The help function should work on the installation on your computer, but if it doesn't, you can find the full help documents on the Cleanroom Drive and some are also available in LabManager, just follow the links below.

	==XRR==		==XRR==

Reet: /* Rocking Curves */

2025-09-18T09:36:11Z

Rocking Curves

← Older revision		Revision as of 11:36, 18 September 2025
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	'''How to analyze Rocking Curves:'''		'''How to analyze Rocking Curves:'''
	# Load data:		# Load data
	# Configure sample model:		# Configure sample model:
	##Set substrate material and initial values.		##Set substrate material and initial values.

Reet: /* XRR */

2025-09-18T09:36:00Z

XRR

← Older revision		Revision as of 11:36, 18 September 2025
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	'''How to analyze XRR data:'''		'''How to analyze XRR data:'''
	# Load data:		# Load data
	# Configure sample model:		# Configure sample model:
	##Set substrate material and initial values.		##Set substrate material and initial values.

Reet: /* XRD data analysis in SmartLab Studio II */

2025-09-18T09:35:11Z

XRD data analysis in SmartLab Studio II

← Older revision		Revision as of 11:35, 18 September 2025
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	'''Licenses''' for the software are floating network licenses, and hence you must close the software when you are not using it. User management and data transfer can be done by connecting to the SQL server (the database) as described in the link above.		'''Licenses''' for the software are floating network licenses, and hence you must close the software when you are not using it. User management and data transfer can be done by connecting to the SQL server (the database) as described in the link above.

	'''~~Packages~~''' available for data treatment are listed below. Each ~~package~~ is named by the ~~measurement~~ type.		'''Plugins''' available for data treatment are listed below. Each plugin is named by the data treatment type.

	'''Help functions''' included in the program usually give a good overview of the options available when setting up fitting. You can access the relevant help sections by clicking on the small question mark in the pane you want to know more about. The exception is that due to a bug the question-mark-click-for-help function does not work in the software in the cleanroom, but it should work on your computer. If it doesn't, you can find the full help documents on the Cleanroom-drive - ask staff for details.		'''Help functions''' included in the program usually give a good overview of the options available when setting up fitting. You can access the relevant help sections by clicking on the small question mark in the pane you want to know more about. The exception is that due to a bug the question-mark-click-for-help function does not work in the software in the cleanroom, but it should work on your computer. If it doesn't, you can find the full help documents on the Cleanroom-drive - ask staff for details.

Reet: /* Materials Manager */

2025-09-17T11:52:07Z

Materials Manager

← Older revision		Revision as of 13:52, 17 September 2025
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	We recommend downloading the symmetrized cif file for import. When adding materials please consider if the space group is the correct one. We would also prefer if the elastic stiffness tensor is entered into the software for all materials if available, which they often are on the Materials Project site.		We recommend downloading the symmetrized cif file for import. When adding materials please consider if the space group is the correct one. We would also prefer if the elastic stiffness tensor is entered into the software for all materials if available, which they often are on the Materials Project site.

	For information about how to use the plugin please look in section 3.2 in the manual opened by clicking on the ? in the ~~software~~ upper right-hand corner or see [http://labmanager.dtu.dk/view_binary.php?fileId=4246 LabManager] - requires login.		For information about how to use the plugin please look in section 3.2 in the manual opened by clicking on the ? in the upper right-hand corner or see [http://labmanager.dtu.dk/view_binary.php?fileId=4246 LabManager] - requires login.

Reet: /* Materials Manager */

2025-09-17T11:51:39Z

Materials Manager

← Older revision		Revision as of 13:51, 17 September 2025
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	==Materials Manager==		==Materials Manager==
	The materials manager is used for adding crystal structures and amorphous material parameters for use in data simulation. For some users the compounds are of most interest, as it is in here that you can generate materials like In(x)Ga(1-x)As. Materials not listed can be added by either importing a cif file or defining it by hand. I (Kristian Hagsted) have found the homepage [http://materialsproject.org/#search/materials Materials Project] helpful~~; see~~ also [http://labadviser.nanolab.dtu.dk/index.php/Specific_Process_Knowledge/Characterization/XRD/XRD_Reference_Data ~~this~~ page~~] also linked to above~~ on how to look up or add reference spectra from the Inorganic Crystal Structure Database (ICSD) (for DTU users and others with access to the ICSD).		The materials manager is used for adding crystal structures and amorphous material parameters for use in data simulation. For some users the compounds are of most interest, as it is in here that you can generate materials like In(x)Ga(1-x)As. Materials not listed can be added by either importing a cif file or defining it by hand. I (Kristian Hagsted) have found the homepage [http://materialsproject.org/#search/materials Materials Project] helpful. See also [http://labadviser.nanolab.dtu.dk/index.php/Specific_Process_Knowledge/Characterization/XRD/XRD_Reference_Data the page on how to look up or add reference spectra] from the Inorganic Crystal Structure Database (ICSD) (for DTU users and others with access to the ICSD).

	We recommend downloading the symmetrized cif file for import. When adding materials please consider if the space group is the correct one. We would also prefer if the elastic stiffness tensor is entered into the software for all materials if available, which they often are on the Materials Project site.		We recommend downloading the symmetrized cif file for import. When adding materials please consider if the space group is the correct one. We would also prefer if the elastic stiffness tensor is entered into the software for all materials if available, which they often are on the Materials Project site.

	For information about how to use the plugin please look in section 3.2 in the manual opened by clicking on the ? in the software to right corner or ~~from~~ [http://labmanager.dtu.dk/view_binary.php?fileId=4246 LabManager] - requires login.		For information about how to use the plugin please look in section 3.2 in the manual opened by clicking on the ? in the software upper right-hand corner or see [http://labmanager.dtu.dk/view_binary.php?fileId=4246 LabManager] - requires login.

Reet: /* Powder XRD */

2025-09-17T11:49:09Z

Powder XRD

← Older revision		Revision as of 13:49, 17 September 2025
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	===Basic/Evaluation===		===Basic/Evaluation===
	~~The use of the plugin for basic analysis is as following.~~ The walk-through is written for the RIR Quantification flow~~; if~~ only Search/Match is wanted the evaluation flow has the same steps except the RIR part:		The walk-through below is written for the RIR Quantification flow. If only Search/Match is wanted the evaluation flow has the same steps except the RIR part.
	*Load data:		'''The use of the plugin for basic analysis is as follows: '''
	** Data from XRD Powder has to be converted to .asc or .xy ~~before load~~.		#Load data:
	*Peak evaluation:		## Data from XRD Powder has to be converted to .asc or .xy in advance.
	**Choose the settings for the peak search and profile fitting		#Peak evaluation:
	**Press Run		##Choose the settings for the peak search and profile fitting
	*Phase identification:		##Press Run
	**To search for the peaks, press Search/Match in the left window.		#Phase identification:
	**One of the best ways to limit the amount of data found is to use the element filter.		##To search for the peaks, press Search/Match in the left window.
	**Material can be set to unknown, not included, included, or include one at least by clicking on the materials several times.		##One of the best ways to limit the amount of data found is to use the element filter.
	**When the material filters are set correctly press run to search the database (''see link above on how to add reference spectra to the database from the ICSD)''.		##"Material" can be set to unknown, not included, included, or include one at least by clicking on the materials several times.
	**The found ~~candidates~~ are listed in Phase identification window. The candidate with the smallest FOM/F20 is the most likely candidate to be present in the sample.		##When the material filters are set correctly press "run" to search the database (''see link above on how to add reference spectra to the database from the ICSD)''.
	**Always use the prior knowledge of the sample to evaluate the outcome of the search.		##The candidates found are listed in Phase identification window. The candidate with the smallest FOM/F20 is the most likely candidate to be present in the sample.
	**The ~~found results~~ can be moved to the candidate phase list, for use in RIR quantification.		##Always use the prior knowledge of the sample to evaluate the outcome of the search.
	**Press set above the candidate phase list before moving on.		##The identified phases can be moved to the candidate phase list, for use in RIR quantification.
			##Press set above the candidate phase list before moving on.

	===Basic/RIR Quantification===		===Basic/RIR Quantification===
	For Reference Intensity Ratio (RIR) ~~chose~~ the RIR Quantification flow, which ~~add~~ the following step to basic evaluation.		For '''Reference Intensity Ratio (RIR) calculations''', choose the RIR Quantification flow, which adds the following step to basic evaluation.
	*Configure RIR quantification:		#Configure RIR quantification:
	**Chose the Miller indices to user for RIR.		##Chose the Miller indices to user for RIR.
	**You can then right click on the dataset below the RIR Quantification window and click chart to see the distribution of the phases.		##You can then right-click on the dataset below the RIR Quantification window and click "chart" to see the distribution of the phases.

			===Comprehensive Analysis/Crystallite size and strain===
	For comprehensive analysis, in the task drop down menu in the flow bar select Comprehensive analysis. Three flows are available here, Crystallite size and strain, Lattice parameter refinement, and Crystallinity.		For comprehensive analysis, in the task drop down menu in the flow bar select Comprehensive analysis. Three flows are available here, Crystallite size and strain, Lattice parameter refinement, and Crystallinity.

	~~===Comprehensive Analysis/Crystallite size and strain===~~		For Crystallite size and strain the first steps are the same as for Search/Match evaluation and the following is added:
	For Crystallite size and strain the first steps are the same as for Search/Match evaluation and the following is added.		#Configure size & strain:
	*Configure size & strain:		##Select the dataset to analyse.
	**Select the dataset to analyse.		##Select or deselect peaks that are to be used or not for the calculation.
	**Select or deselect peaks that are to be used or not for the calculation.		##Select the analysis method.
	**Select the analysis method.		##Select 'Use e.s.d. for weight factor' (estimated standard deviation).
	**Select 'Use e.s.d. for weight factor' (estimated standard deviation).		##Choose if width corrections is to be used.
	**Chose if width corrections is to be used.
	For more info on these see the manual by clicking ? in the right panel for the plugin (Crystallite Size and Strain, Lattice Parameter Refinement, or %Crystallinity) or in [http://labmanager.dtu.dk/view_binary.php?fileId=4247 LabManager] - requires login

	===Comprehensive Analysis/Lattice parameter refinement===		===Comprehensive Analysis/Lattice parameter refinement===
	For ~~Lattice~~ parameter refinement, follow the steps for search and match. After phase identification do the following.		For '''lattice parameter refinement''', follow the steps for search and match. After phase identification do the following.
	*Configure lattice parameter refinement:		#Configure lattice parameter refinement:
	**Select the dataset to analyse.		##Select the dataset to analyse.
	**Select or deselect peaks that are to be used or not for the calculation.		##Select or deselect peaks that are to be used or not for the calculation.
	**Select the ~~Angular~~ correction to use.		##Select the angular correction to use.
	For more info on these see the manual by clicking ? in the right panel for the plugin (Crystallite Size and Strain, Lattice Parameter Refinement, or %Crystallinity) or in [http://labmanager.dtu.dk/view_binary.php?fileId=4247 LabManager] - requires login

	===Comprehensive Analysis/Crystallinity===		===Comprehensive Analysis/Crystallinity===
	For crystallinity calculation, follow the steps for search and match. After phase identification the following steps are needed.		For '''crystallinity calculation''', follow the steps for search and match. After phase identification the following steps are needed.
	*Confirm crystallinity:		#Confirm crystallinity:
	**Decide whether to include background.		##Decide whether to include background.
	**Chose if a line should be subtracted from background.		##Choose if a line should be subtracted from the background.
	**Select the target crystalline phase.		##Select the target crystalline phase.
	For more info on these see the manual by clicking ? in the right panel for the plugin (Crystallite Size and Strain, Lattice Parameter Refinement, or %Crystallinity) or in [http://labmanager.dtu.dk/view_binary.php?fileId=4247 LabManager] - requires login
			For more info on these steps, see the manual by clicking ? in the right panel for the plugin (Crystallite Size and Strain, Lattice Parameter Refinement, or Crystallinity) or see [http://labmanager.dtu.dk/view_binary.php?fileId=4247 LabManager] - requires login

	==Data Visualization==		==Data Visualization==

Reet: /* Texture */

2025-09-17T11:38:53Z

Texture

← Older revision		Revision as of 13:38, 17 September 2025
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	==Texture==		==Texture==

	The texture plugin is used for Pole Figure analysis and Orientation distribution functions (ODF). However we do not have a license for ODF. To enable Orientation functions to be calculated 2 or more pole figures are needed. The texture plugin has two types of calculations, a Defocusing project and texture calculation. The defocusing project will not be discussed here, as it is not strictly needed for the texture calculation, however the idea with this is to measure on substrate with randomly distributed crystals and subtract this from the oriented texture data.		The texture plugin is used for Pole Figure analysis and Orientation distribution functions (ODF). However we do not have a license for ODF. To enable Orientation functions to be calculated, two or more pole figures are needed. The texture plugin has two types of calculations, a Defocusing project and texture calculation. The defocusing project will not be discussed here, as it is not strictly needed for the texture calculation, however the idea with this is to measure a substrate with randomly distributed crystals and subtract this from the oriented texture data.

	A texture calculation processed as follows:		'''A texture calculation is processed as follows:
	*Load data:		'''
	**Choose one or more pole figure data sets to load.		#Load data:
	*Load defocusing project:		##Choose one or more pole figure data sets to load.
	**This is only possible if a randomly oriented sample has been measured.		#(Optional) Load defocusing project:
	*Configure sample:		##This is only possible if a randomly oriented sample has been measured.
	**Set the material and the reflections that have been measured.		#Configure sample:
	**Extra reflections and materials can be added by the add reflection and add phase tools.		##Set the material and the reflections that have been measured.
	**Also connect the reflections to the correct pole figures.		##Extra reflections and materials can be added by the "add reflection" and "add phase" tools.
	**When all materials and reflection is set, press Estimate 2θB, to calculate the 2θ angles.		##Also connect the reflections to the correct pole figures.
	*Make pole figure corrections:		##When all materials and reflection is set, press Estimate 2θB, to calculate the 2θ angles.
	**Activate and change the settings of the preferred corrections in the right panel.		#Make pole figure corrections:
	**Apply the corrections		##Activate and change the settings of the preferred corrections in the right panel.
	**To read out the result, click on orientation function at the lower pane.		##Apply the corrections
	For more information on how to use the Texture plugin, read the manual by clicking on the ? in the software or ~~from~~ [http://labmanager.dtu.dk/view_binary.php?fileId=4244 LabManager] - requires login.		##To read out the result, click on "orientation function" in the lower pane.

			For more information on how to use the Texture plugin, read the manual by clicking on the ? in the software or see [http://labmanager.dtu.dk/view_binary.php?fileId=4244 LabManager] - requires login.

	==Powder XRD==		==Powder XRD==

Reet: /* HRXRD */

2025-09-17T11:35:35Z

HRXRD

← Older revision		Revision as of 13:35, 17 September 2025
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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-Kα<sub>1</sub>.		##Choose if the reflection is symmetric or asymmetric for Out-of-plane (ω step).
	*Reflection information:		##Choose Cu-Kα<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 2θ \|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 2θ, \|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.

Reet: /* HRXRD */

2025-09-17T11:20:56Z

HRXRD

← Older revision		Revision as of 13:20, 17 September 2025
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	==HRXRD==		==HRXRD==
	The HRXRD package is used ~~for analysis of crystalline materials. It can be used~~ to derive information about crystallinity, strain, composition, and thickness. ~~Meaning that HRXRD~~ are ~~used with rocking curves~~ and ~~reciprocal space mapping data~~. Like the XRR plugin, the flow is to load data, generate a model of the layers, simulate initial parameters, and finally fit the to the data.		The HRXRD package is used with rocking curves and reciprocal space mapping data to derive information about crystallinity, strain, composition, and thickness. These measurements are usually made on epitaxial layers and single-crystal substrates. Like the XRR plugin, the flow is to load data, generate a model of the layers, simulate initial parameters, and finally fit the model to the data.

	===Rocking ~~Curve~~===		===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.
	*Load data:		'''How to analyze Rocking Curves:'''
	*Configure sample model:		# Load data:
	**Set substrate material and initial values.		# Configure sample model:
	**Add layers. Consider adding interface layers like native oxides.		##Set substrate material and initial values.
	**Set layer materials and initial values.		##Add layers. Consider adding interface layers like native oxides.
	**Define Graded Layers if any.		##Set layer materials and initial values.
	**Define Super Lattices if any.		##Define Graded Layers if any.
	**Link layers, formula is of the type th[1], for linking thickness to layer L1.		##Define Super Lattices if any.
	*Set peak parameters and Evaluate:		##Link layers (formula is of the type th[1], for linking thickness to layer L1)).
	**Associate peaks with layers or substrate.		#Set peak parameters and Evaluate:
	**Select if the peak is a Bragg Peak or a Harmonic peak.		##Associate peaks with layers or substrate.
	**For Harmonic peaks chose the harmonic order.		##Select if the peak is a Bragg Peak or a Harmonic peak.
	**When done press Evaluate to update fitting parameters.		##For Harmonic peaks chose the harmonic order.
	*Set X-ray parameters:		##When done press Evaluate to update fitting parameters.
	**Check values for wavelength and reflection.		#Set X-ray parameters:
	*Set simulation parameters:		##Check values for wavelength and reflection.
	**Select the scan type and the range for simulation.		#Set simulation parameters:
	**Click Auto in Horizontal transform to align the offset in 2θ.		##Select the scan type and the range for simulation.
	**In Vertical transform, chose the background type and click auto to add a background function to the simulation.		##Click Auto in Horizontal transform to align the offset in 2θ.
	**Optional add the some of the values as fitting parameters.		##In Vertical transform, chose the background type and click auto to add a background function to the simulation.
	*Set fit algorithm and ~~Run Fit~~		##Optional add the some of the values as fitting parameters.
	**Select the Fit method~~, Generic~~ Algorithm is for global optimization, while the two others are local optimizations.		#Set fit algorithm and run tit
	**Change fit method parameters and settings as needed.		##Select the Fit method. Genetic Algorithm is for global optimization, while the two others are local optimizations.
	**If wanted set an instrumental function in the tab below the fit parameters window.		##Change fit method parameters and settings as needed.
			##If wanted 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.
	*Load data:		'''How to fit RSM data:'''
	**On the chart toolbar, plot options can be change, of note it is possible to change between angular and reciprocal space coordinates.		#Load data:
	*Smoothing and background subtraction:		##On the chart toolbar, plot options can be change, of note it is possible to change between angular and reciprocal space coordinates.
	**The data can be smoothed, by weighted average of nearby neighbors.		#Smoothing and background subtraction:
	**Background subtraction either in the form of a fitted background or a constant value is possible.		##The data can be smoothed, by weighted average of nearby neighbors.
	*Search peaks		##Background subtraction either in the form of a fitted background or a constant value is possible.
	**Chose the settings for peak search.		#Search peaks
	**Verify the Peaks for Evaluation list.		##Chose the settings for peak search.
	*Configure sample model:		##Verify the Peaks for Evaluation list.
	**Set substrate material and initial values.		#Configure sample model:
	**Add layers. Consider adding interface layers like native oxides.		##Set substrate material and initial values.
	**Set layer materials and initial values.		##Add layers. Consider adding interface layers like native oxides.
	**Define Graded Layers if any.		##Set layer materials and initial values.
	**Define Super Lattices if any.		##Define Graded Layers if any.
	**Link layers, formula is of the type th[1], for linking thickness to layer L1.		##Define Super Lattices if any.
	*Generate hkl:		##Link layers, formula is of the type th[1], for linking thickness to layer L1.
	**Set the rotation angle, ϕ, of the substrate.		#Generate hkl:
	**Set the tilt of the substrate, χ, for an in-plane measurement, it is called 2θχ.		##Set the rotation angle, ϕ, of the substrate.
	**Adjust the other parameters as wanted.		##Set the tilt of the substrate, χ, for an in-plane measurement, it is called 2θχ.
	**Press generate hkl.		##Adjust the other parameters as wanted.
	For more information on how to use the HRXRD plugin, read the manual by clicking on the ? in the software or ~~from~~ [http://labmanager.dtu.dk/view_binary.php?fileId=4242 LabManager] - requires login.		##Press "generate hkl".
			For more information on how to use the HRXRD plugin, read the manual by clicking on the ? in the software or find it in [http://labmanager.dtu.dk/view_binary.php?fileId=4242 LabManager] - requires login.

	===RS viewer===		===RS viewer===