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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 binder water, 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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