1 NIST/ITL StRD 2 Dataset Name: Roszman1 (Roszman1.dat) 3 4 File Format: ASCII 5 Starting Values (lines 41 to 44) 6 Certified Values (lines 41 to 49) 7 Data (lines 61 to 85) 8 9 Procedure: Nonlinear Least Squares Regression 10 11 Description: These data are the result of a NIST study involving 12 quantum defects in iodine atoms. The response 13 variable is the number of quantum defects, and the 14 predictor variable is the excited energy state. 15 The argument to the ARCTAN function is in radians. 16 17 Reference: Roszman, L., NIST (19??). 18 Quantum Defects for Sulfur I Atom. 19 20 21 22 23 24 25 Data: 1 Response (y = quantum defect) 26 1 Predictor (x = excited state energy) 27 25 Observations 28 Average Level of Difficulty 29 Observed Data 30 31 Model: Miscellaneous Class 32 4 Parameters (b1 to b4) 33 34 pi = 3.141592653589793238462643383279E0 35 y = b1 - b2*x - arctan[b3/(x-b4)]/pi + e 36 37 38 Starting Values Certified Values 39 40 Start 1 Start 2 Parameter Standard Deviation 41 b1 = 0.1 0.2 1.20196866396E-0 1.9172666023E-02 42 b2 = -0.00001 -0.000005 -6.1953516256E-06 3.2058931691E-06 43 b3 = 1000 1200 1.2044556708E+03 7.4050983057E+01 44 b4 = -100 -150 -1.8134269537E+02 4.9573513849E+01 45 46 Residual Sum of Squares: 4.9484847331E-04 47 Residual Standard Deviation: 4.8542984060E-03 48 Degrees of Freedom: 21 49 Number of Observations: 25 50 51 52 53 54 55 56 57 58 59 60 Data: y x 61 0.252429 -4868.68 62 0.252141 -4868.09 63 0.251809 -4867.41 64 0.297989 -3375.19 65 0.296257 -3373.14 66 0.295319 -3372.03 67 0.339603 -2473.74 68 0.337731 -2472.35 69 0.333820 -2469.45 70 0.389510 -1894.65 71 0.386998 -1893.40 72 0.438864 -1497.24 73 0.434887 -1495.85 74 0.427893 -1493.41 75 0.471568 -1208.68 76 0.461699 -1206.18 77 0.461144 -1206.04 78 0.513532 -997.92 79 0.506641 -996.61 80 0.505062 -996.31 81 0.535648 -834.94 82 0.533726 -834.66 83 0.568064 -710.03 84 0.612886 -530.16 85 0.624169 -464.17 86
