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- Sample composition - Quantitative analysis should be performed to identify the most accurate composition possible for the samples. This is the full composition for the sample, including any water, binder binder or support materials that may be present, not just the composition of the material of interest.
- Density - The density of the sample should be known in either g cm-3 or atoms Å-3.
- Packing fraction - This is a value between 0-1 and is often estimated to be ca. 0.6.
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The sample composition, density and packing fraction are essential parameters that should be known as accurately as possible in order to perform the data reduction step and generate the PDFs. A range of suitable analysis methods should be performed such as XRF, TGA/DSC-MS etc. to characterise the sample in advance of the beamtime. Additional information such as amorphous content, concentration of impurity phases etc. will also be useful during analysis. |
There are additional factors that should be considered regarding the samples, such as;
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