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