I am new one to TA, and I met this error when I run refinement using jEdit. I really appreciate it if anyone could give me some advice. this is my log.file
r_wp 0 r_exp 0 r_p 0 r_p_dash 0 r_exp_dash 0 weighted_Durbin_Watson 0 gof 0
iters 1000
chi2_convergence_criteria 0.001
xdd ZSM-5.xye
x_calculation_step = Yobs_dx_at(Xo); convolution_step 4
bkg @ 0 0 0 0 0 0
prm axial 10 min 0.0001 max 50 circles_conv = -.5 57.2957795130823 ( (axial) / Rs)2 / Tan(2 Th);
prm !th2_monochromator 26.6 scale_pks = (1 + Cos((!th2_monochromator) 0.01745329251994)^2 Cos(2 Th)^2) / (Sin(Th)^2 Cos(Th));
lam
ymin_on_ymax 0.0001
la 1 lo 1.540596 lh 0.501844 ymin_on_ymax 0.0001
prm !zero 0 th2_offset = (!zero);
prm height 0 min = Val-.1; max = Val+.1; del 0.001 th2_offset = -2 57.2957795130823 (height) Cos(Th) / Rs;
hkl_Is
phase_name "?zsm5?"
a 20.04852
b 19.93474
c 13.39235
al 90
be 90
ga 90
volume 5352.414
space_group 62
site Si1 x 0.42238 y 0.05650 z -0.33598 occ Si 1.0 beq 1.3896403
site Si2 x 0.30716 y 0.02772 z -0.18930 occ Si 1.0 beq 1.62651081
site Si3 x 0.27911 y 0.06127 z 0.03120 occ Si 1.0 beq 1.52386692
site Si4 x 0.12215 y 0.06298 z 0.02670 occ Si 1.0 beq 1.42911872
site Si5 x 0.07128 y 0.02722 z -0.18551 occ Si 1.0 beq 1.26330936
site Si6 x 0.18641 y 0.05896 z -0.32818 occ Si 1.0 beq 1.41332735
site Si7 x 0.42265 y -0.17250 z -0.32718 occ Si 1.0 beq 1.46070145
site Si8 x 0.30778 y -0.13016 z -0.18548 occ Si 1.0 beq 1.57124102
site Si9 x 0.27554 y -0.17279 z 0.03109 occ Si 1.0 beq 1.3896403
site Si10 x 0.12058 y -0.17310 z 0.02979 occ Si 1.0 beq 1.52386692
site Si11 x 0.07044 y -0.13037 z -0.18200 occ Si 1.0 beq 1.52386692
site Si12 x 0.18706 y -0.17327 z -0.31933 occ Si 1.0 beq 1.5791367
site O1 x 0.3726 y 0.0534 z -0.2442 occ O 1.0 beq 3.86888493
site O2 x 0.3084 y 0.0587 z -0.0789 occ O 1.0 beq 3.15827341
site O3 x 0.2007 y 0.0592 z 0.0289 occ O 1.0 beq 5.05323745
site O4 x 0.0969 y 0.0611 z -0.0856 occ O 1.0 beq 3.46620507
site O5 x 0.1149 y 0.0541 z -0.2763 occ O 1.0 beq 2.67663671
site O6 x 0.2435 y 0.0553 z -0.2460 occ O 1.0 beq 3.63201442
site O7 x 0.3742 y -0.1561 z -0.2372 occ O 1.0 beq 3.71097125
site O8 x 0.3085 y -0.1552 z -0.0728 occ O 1.0 beq 3.46620507
site O9 x 0.1980 y -0.1554 z 0.0288 occ O 1.0 beq 3.15827341
site O10 x 0.0910 y -0.1614 z -0.0777 occ O 1.0 beq 4.57949644
site O11 x 0.1169 y -0.1578 z -0.2694 occ O 1.0 beq 3.78992809
site O12 x 0.2448 y -0.1594 z -0.2422 occ O 1.0 beq 4.34262594
site O13 x 0.3047 y -0.0510 z -0.1866 occ O 1.0 beq 5.61383098
site O14 x 0.0768 y -0.0519 z -0.1769 occ O 1.0 beq 3.71097125
site O15 x 0.4161 y 0.1276 z -0.3896 occ O 1.0 beq 3.46620507
site O16 x 0.4086 y -0.0017 z -0.4136 occ O 1.0 beq 3.63201442
site O17 x 0.4020 y -0.1314 z -0.4239 occ O 1.0 beq 3.15827341
site O18 x 0.1886 y 0.1298 z -0.3836 occ O 1.0 beq 2.84244607
site O19 x 0.1940 y 0.0007 z -0.4082 occ O 1.0 beq 3.55305758
site O20 x 0.1951 y -0.1291 z -0.4190 occ O 1.0 beq 3.4030396
site O21 x -0.0037 y 0.0502 z -0.2080 occ O 1.0 beq 2.61347125
site O22 x -0.0040 y -0.1528 z -0.2078 occ O 1.0 beq 3.15827341
site O23 x 0.4192 y -0.2500 z -0.3540 occ O 1.0 beq 3.46620507
site O24 x 0.1884 y -0.2500 z -0.3538 occ O 1.0 beq 2.67663671
site O25 x 0.2883 y -0.2500 z 0.0579 occ O 1.0 beq 2.61347125
site O26 x 0.1085 y -0.2500 z 0.0611 occ O 1.0 beq 2.36870506
scale 0.0001
r_bragg 0
prm !pku 0.00039 prm !pkv -0.00221 prm !pkw -0.00146 prm !pkz 0.0000 prm !pkx 0.00957 prm !pky 0.0001 local m639974d4_0 = (!pkx) Tan(Th) + (!pky) / Cos(Th); local m639974d4_1 = Sqrt( Abs( (!pku) Tan(Th)^2 + (!pkv) Tan(Th) + (!pkw) + (!pkz) / Cos(Th)^2) ); local m639974d4_2 = ( m639974d4_1^5 + 2.69269 m639974d4_1^4 m639974d4_0 + 2.42843 m639974d4_1^3 m639974d4_0^2 + 4.47163 m639974d4_1^2 m639974d4_0^3 + 0.07842 m639974d4_1 m639974d4_0^4 + m639974d4_0^5 )^0.2; local m639974d4_3 = m639974d4_0 / m639974d4_2; peak_type pv pv_lor = 1.36603 m639974d4_3 - 0.47719 m639974d4_3^2 + 0.1116 m639974d4_3^3; pv_fwhm = m639974d4_2;
prm = (1.6605402 Get(cell_mass) / Get(cell_volume)); : 0*** Error loading sstring_in
at LINE 40
See log file D:\TOPAS-Academic\topas.log
Cannot locate site from ga in data structures
