source: Tutorials/2DTexture/data/NiTi-B.lst @ 4948

Last change on this file since 4948 was 4948, checked in by vondreele, 4 months ago

rebuilt 2DTexture tutorial

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1********************************************************************************
2   General Structure Analysis System-II Crystal Structure Refinement
3              by Robert B. Von Dreele & Brian H. Toby
4                Argonne National Laboratory(C), 2010
5 This product includes software developed by the UChicago Argonne, LLC,
6            as Operator of Argonne National Laboratory.
7                          Please cite:
8   B.H. Toby & R.B. Von Dreele, J. Appl. Cryst. 46, 544-549 (2013)
9********************************************************************************
10 Least squares controls:
11 Refinement type: analytic Hessian
12 Maximum number of cycles: 3
13 Regularize hydrogens (if any): False
14 Initial shift factor: 1.000
15 Sequential refinement controls:
16 Copy of histogram results to next: False
17 Process histograms in reverse order: False
18
19 Refinement results for histogram id 0: PWDR NDC5_01588_1.ge2 #0001 Azm= 0.00
20---------------------------------------------------------------------------------------------------------------------------------------
21 Number of function calls: 7 No. of observations: 1500 No. of parameters: 29 User rejected: 0 Sp. gp. extinct: 0
22 Refinement time =    2.062s,    0.516s/cycle, for 4 cycles
23 wR =    5.36%, chi**2 =       804.25, GOF =   0.74
24
25 Refinement results for histogram id 1: PWDR NDC5_01588_1.ge2 #0001 Azm= 10.00
26---------------------------------------------------------------------------------------------------------------------------------------
27 Number of function calls: 5 No. of observations: 1500 No. of parameters: 29 User rejected: 0 Sp. gp. extinct: 0
28 Refinement time =    1.422s,    0.711s/cycle, for 2 cycles
29 wR =    3.96%, chi**2 =      389.385, GOF =   0.51
30
31 Refinement results for histogram id 2: PWDR NDC5_01588_1.ge2 #0001 Azm= 20.00
32---------------------------------------------------------------------------------------------------------------------------------------
33 Number of function calls: 5 No. of observations: 1500 No. of parameters: 29 User rejected: 0 Sp. gp. extinct: 0
34 Refinement time =    1.619s,    0.810s/cycle, for 2 cycles
35 wR =    4.28%, chi**2 =      410.489, GOF =   0.53
36
37 Refinement results for histogram id 3: PWDR NDC5_01588_1.ge2 #0001 Azm= 30.00
38---------------------------------------------------------------------------------------------------------------------------------------
39 Number of function calls: 3 No. of observations: 1500 No. of parameters: 29 User rejected: 0 Sp. gp. extinct: 0
40 Refinement time =    0.695s,    0.695s/cycle, for 1 cycles
41 wR =    4.45%, chi**2 =      444.877, GOF =   0.55
42
43 Refinement results for histogram id 4: PWDR NDC5_01588_1.ge2 #0001 Azm= 40.00
44---------------------------------------------------------------------------------------------------------------------------------------
45 Number of function calls: 4 No. of observations: 1500 No. of parameters: 29 User rejected: 0 Sp. gp. extinct: 0
46 Refinement time =    0.906s,    0.906s/cycle, for 1 cycles
47 wR =    5.92%, chi**2 =      821.166, GOF =   0.75
48
49 Refinement results for histogram id 5: PWDR NDC5_01588_1.ge2 #0001 Azm= 50.00
50---------------------------------------------------------------------------------------------------------------------------------------
51 Number of function calls: 6 No. of observations: 1500 No. of parameters: 29 User rejected: 0 Sp. gp. extinct: 0
52 Refinement time =    1.234s,    1.234s/cycle, for 1 cycles
53 wR =    6.36%, chi**2 =      978.744, GOF =   0.82
54
55 Refinement results for histogram id 6: PWDR NDC5_01588_1.ge2 #0001 Azm= 60.00
56---------------------------------------------------------------------------------------------------------------------------------------
57 Number of function calls: 6 No. of observations: 1500 No. of parameters: 29 User rejected: 0 Sp. gp. extinct: 0
58 Refinement time =    1.234s,    1.234s/cycle, for 1 cycles
59 wR =    7.83%, chi**2 =      1433.97, GOF =   0.99
60
61 Refinement results for histogram id 7: PWDR NDC5_01588_1.ge2 #0001 Azm= 70.00
62---------------------------------------------------------------------------------------------------------------------------------------
63 Number of function calls: 3 No. of observations: 1500 No. of parameters: 29 User rejected: 0 Sp. gp. extinct: 0
64 Refinement time =    0.703s,    0.703s/cycle, for 1 cycles
65 wR =    7.71%, chi**2 =      1262.47, GOF =   0.93
66
67 Refinement results for histogram id 8: PWDR NDC5_01588_1.ge2 #0001 Azm= 80.00
68---------------------------------------------------------------------------------------------------------------------------------------
69 Number of function calls: 7 No. of observations: 1500 No. of parameters: 29 User rejected: 0 Sp. gp. extinct: 0
70 Refinement time =    1.954s,    0.489s/cycle, for 4 cycles
71 wR =    8.10%, chi**2 =      1394.97, GOF =   0.97
72
73 Refinement results for histogram id 9: PWDR NDC5_01588_1.ge2 #0001 Azm= 90.00
74---------------------------------------------------------------------------------------------------------------------------------------
75 Number of function calls: 5 No. of observations: 1500 No. of parameters: 29 User rejected: 0 Sp. gp. extinct: 0
76 Refinement time =    1.062s,    1.062s/cycle, for 1 cycles
77 wR =   10.69%, chi**2 =      2561.53, GOF =   1.32
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