X-Ray Database
This menu allows the user the view specified ranges of the NIST x-ray wavelength database. This database covers the wavelength range from approximately 0.5 to 100.0 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 display 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 Re-Load 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)
The NIST x-ray database is based on 4985 (1st order) entries and includes all the measurable x-ray lines, satellites and absorption edges from under 100 eV to over 120 keV. Additionally, most of the x-ray lines and satellites are assigned a relative intensity (relative to the alpha-1 line in each family). The data base was assembled primarily from four sources:
1.) B.L. Doyle, W.F. Chambers, T.M. Christensen, J.M. Hall and G.H. Pepper "SINE THETA SETTINGS FOR X-RAY SPECTROMETERS", Atomic Data and Nuclear Data Tables Vol. 24, No 5, 1979.
2.) E.W. White, G.V. Gibbs, G.G. Johnson Jr. and G.R. Zechman "X-RAY WAVELENGTHS AND CRYSTAL INTERCHANGE SETTINGS FOR WAVELENGTH GEARED CURVED CRYSTAL SPECTROMETERS" Report of the Pennsylvania State Univ., 1964.
3.) J.A. Bearden "X-RAY WAVELENGTHS AND X-RAY ATOMIC ENERGY LEVELS" Rev. Mod. Phys., Vol. 39, No. 78, 1967.
4.) J.A Bearden and A.F. Burr,"REEVALUATION OF X-RAY ATOMIC ENERGY LEVELS", Rev. Mod. Phys., Vol. 31, No. 1, 1967.
Each x-ray line or edge series as a function of atomic number was fit to a fourth degree polynomial. The fit was subtracted from the appropriate data and the residuals plotted and examined. In this way rogue entries could be identified and corrected. The resulting data base is considered to be sufficiently accurate for any application involving the Si (Li) x-ray detector and single crystal wavelength spectrometers.
Note that the last entry in the x-ray database window gives a code for the source of the entry. If the column is blank the source is reference 2. If the column contains the letter "C" the source is reference 1. If the letters "BB" appear, the source is reference 4. The letters "W,F" mean that reference 2 was used but the relative transition probability has been adjusted by Fiori. Reference 3 was used as a check since it is the source of many of the entries of reference 1.
In column 3 the notation KA1,2 means the entry is the weighted sum of the KA1 and KA2 in the ratio 2 to 1. For low atomic number the entries are not self-consistent since the data is from different sources. If the column begins with the capital letter S then the entry is a satellite line due to doubly ionized atoms. The relative transition values for these entries are only valid for electron excited specimens, and are, at best, estimates.
The following are Siegbahn to shell-transition notation conversions:
KA = KA1+KA2+KA3
KA1,2 = (2*KA1+KA2)/3
KA1 = K-L3
KA2 = K-L2
KA3 = K-L1
KB = SUM(KBn)
KBX = Metal
KB1 = K-M3
KB1' = KB1+KB3+KB5
KB2 = (K-N3)+(K-N2)
KB2' = K-N3
KB2'' = K-N2
KB3 = K-M2
KB4 = (K-N4)+(K-N5)
KB5 = (K-M4)+(K-M5)
KB5' = K-M5
KB5'' = K-M4
Kd1 = K-O3
Kd2 = K-O2
LA = LA1+LA2
LA1 = L3-M5
LA2 = L3-M4
LB1 = L2-M4
LB10 = L1-M4
LB15 = L3-N4
LB17 = L2-M3
LB2 = L3-N5
LB3 = L1-M3
LB4 = L1-M2
LB5 = (L3-O4)+(L3-O5)
LB6 = L3-N1
LB7 = L3-O1
LB9 = L1-M5
LG1 = L2-N4
LG11 = L1-N5
LG2 = L1-N2
LG3 = L1-N3
LG4 = L1-O3
LG4' = L1-O2
LG6 = L2-O4
LG8 = L2-O1
Ll = L3-M1
Ln = L2-M1
Ls = L3-M3
Lt = L3-M2
Lu = (L3-N6)+(L3-N7)
Lv = L2-N6
MA1 = M5-N7
MA2 = M5-N6
MB = M4-N6
MG = M3-N5
MG2 = M3-N4
MZ1 = M5-N3
MZ2 = M4-N2
Md = M2-N4
Me = M3-O5