Specific Process Knowledge/Characterization/XRD/SLSII analysis: Difference between revisions

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:

*Load data:

** Data from XRD Powder has to be converted to .asc or .xy before load.

*Peak evaluation:

**Choose the settings for the peak search and profile fitting

**Press Run

*Phase identification:

**To search for the peaks, press Search/Match in the left window.  

**One of the best ways to limit the amount of data found is to use the element filter.

**Material can be set to unknown, not included, included, or include one at least by clicking on the materials several times.

**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)''.

**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.

**Always use the prior knowledge of the sample to evaluate the outcome of the search.

**The found results can be moved to the candidate phase list, for use in RIR quantification.

**Press set above the candidate phase list before moving on.

For Reference Intensity Ratio (RIR) chose the RIR Quantification flow, which add the following step to basic evaluation.

*Configure RIR quantification:

**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.

For Crystallite size and strain the first steps are the same as for Search/Match evaluation and the following is added.

*Configure size & strain:

**Select the dataset to analyse.

**Select or deselect peaks that are to be used or not for the calculation.

**Select the analysis method.

**Select 'Use e.s.d. for weight factor' (estimated standard deviation).

**Chose if width corrections is to be used.

For Lattice parameter refinement, follow the steps for search and match. After phase identification do the following.

*Configure lattice parameter refinement:

**Select the dataset to analyse.

**Select or deselect peaks that are to be used or not for the calculation.

**Select the Angular correction to use.

For crystallinity calculation, follow the steps for search and match. After phase identification the following steps are needed.

*Confirm crystallinity:

**Decide whether to include background.

**Chose if a line should be subtracted from background.

**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