X-Ray Database
This menu allows the user to view specified ranges of the NIST x-ray wavelength database. This database covers the wavelength range from approximately 0.5 to 200.0 angstroms and includes higher order reflections as well. Higher order reflections are reduced in intensity by 25% for each subsequent order to simulate the effect of PHA analysis.
The x-ray list range (Start Angstroms and Stop Angstroms) and minimum search intensity (Minimum Intensity) of the x-ray list can be specified by the user. Note that since the list is limited to about 1000 items, the program will automatically increase the minimum intensity until the returned list of x-ray lines is less than 1000. To view x-ray lines of lesser intensity, simply reduce the x-ray range and click the Load New Range button.
Note that angstrom values in the x-ray database list with Bragg reflection orders higher than one (Roman Numeral "I") are NOT corrected for refraction index corrections. However, KLM markers displayed in the Graph Data wavescan plot dialog are corrected using the equation A' = A * (1 - (K - (K / N^2))) where A is the uncorrected angstrom position, K is the refractive index from the CRYSTALS.DAT file and N is the Bragg reflection order.
Description of the X-ray Database (adapted from NIST
documentation by C. Fiori)