# Pepsi-SANS version 2.4 from 31 July 2019 # Run at 1d203b844e1c on Fri Jun 24 17:37:13 2022 # Command-line arguments: executables/Pepsi-SANS uploads/9867436_3l8wtm_corr.pdb uploads/9867436_H-UOX-OE-NoNeg-Gt..dat -o results/9867436_.out --json --dist --cst --neg --conc 1 --d2o 0.0 --deut 0.0 --exchange 0.9 --dro 5 # Intensities are written in cm-1 # r0: 1.53 d_rho: 0.02 Chi2: 1.14 # q I exp dI exp I fit 0.016000 0.98575780 0.02155278 0.99075642 0.018000 0.97768910 0.01660511 0.96678311 0.020000 0.95871750 0.01323206 0.94249327 0.022000 0.92273290 0.01228513 0.91757023 0.024000 0.90033720 0.01232783 0.89169734 0.026000 0.87998350 0.01226724 0.86455795 0.028000 0.85614870 0.01169951 0.83583572 0.030000 0.81280700 0.01212511 0.80537167 0.032000 0.78049560 0.01069122 0.77341557 0.034000 0.73744310 0.01002449 0.74028272 0.036000 0.71625890 0.00930642 0.70628843 0.038000 0.66203880 0.01151277 0.67174800 0.040000 0.60701290 0.00724960 0.63697596 0.046000 0.54055850 0.00578627 0.53331212 0.052000 0.43342830 0.00548191 0.43334827 0.058000 0.33024020 0.00466342 0.34038945 0.064000 0.25265110 0.00435144 0.25739978 0.070000 0.18223300 0.00429184 0.18663415 0.076000 0.12488260 0.00395158 0.12886152 0.082000 0.08695330 0.00420794 0.08414846 0.088000 0.05601586 0.00459473 0.05157244 0.094000 0.04470180 0.00455329 0.02977189 0.100000 0.01927091 0.00556890 0.01682541 0.106000 0.01665929 0.00775237 0.01072791 0.112000 0.01608062 0.00942016 0.00943694 0.118000 0.02212239 0.00555778 0.01112036 0.124000 0.00741348 0.00636070 0.01424181 0.130000 0.01166273 0.00546305 0.01761787 0.136000 0.01914786 0.00541959 0.02046841 0.142000 0.02317143 0.00587316 0.02234149 0.148000 0.01746365 0.00682393 0.02311035 0.154000 0.02449759 0.00602737 0.02284325 0.160000 0.02189854 0.00486746 0.02177471 0.166000 0.01859396 0.00574013 0.02018021 0.172000 0.01104082 0.00457306 0.01835833 0.178000 0.01113802 0.00548441 0.01654474 0.184000 0.01767605 0.00621776 0.01492215 0.190000 0.01580777 0.00509546 0.01358290 0.196000 0.01699238 0.00580462 0.01255768 0.202000 0.00789994 0.00478453 0.01181770 0.208000 0.01808938 0.00568722 0.01130109 0.214000 0.01157324 0.00420154 0.01093590 0.220000 0.00481135 0.00601055 0.01064905 0.226000 0.01278463 0.00393564 0.01039094 0.232000 0.00948007 0.00387265 0.01012659 0.238000 0.00865670 0.00450377 0.00984945 0.244000 0.00836057 0.00516147 0.00956573 0.250000 0.01049681 0.00317090 0.00929463 0.256000 0.00826083 0.00946989 0.00905812 0.262000 0.00598471 0.00361364 0.00887272 0.268000 0.00987763 0.00359564 0.00874982 0.274000 0.01098052 0.00415613 0.00868709 0.280000 0.00481449 0.00347979 0.00867603 0.286000 0.00842670 0.00438781 0.00869854 0.292000 0.00955865 0.00346835 0.00873473 0.298000 0.00743607 0.00525370 0.00876503 0.304000 0.00688167 0.00332873 0.00877318 0.310000 0.00623636 0.00430514 0.00875078 0.316000 0.00562393 0.00427050 0.00869470 0.322000 0.00695682 0.00391110 0.00861049 0.328000 0.00563450 0.00334780 0.00850704 0.334000 0.00538557 0.00279192 0.00839733 0.340000 0.01249892 0.00334767 0.00829389 0.346000 0.00601449 0.00757951 0.00820768 0.352000 0.01710992 0.00467014 0.00814637 0.358000 0.00531208 0.00344080 0.00811305 0.364000 0.00717401 0.00356050 0.00810729 0.370000 0.00542670 0.00372210 0.00812460 0.376000 0.00819615 0.00455658 0.00815889 0.382000 0.00585607 0.00384984 0.00820263 0.388000 0.00533383 0.00396184 0.00824901 0.394000 0.01177604 0.00428458 0.00829214 0.400000 0.01129208 0.00419203 0.00832809 0.406000 0.00936042 0.00661627 0.00835468 0.412000 0.00827022 0.00717546 0.00837137 0.418000 0.00520757 0.00424892 0.00837888 0.424000 0.01316517 0.00496637 0.00837848 0.430000 0.00353404 0.00560718 0.00837179 0.436000 0.01378508 0.00521007 0.00836026 0.442000 0.01176219 0.00559532 0.00834520 0.448000 0.01185936 0.00588011 0.00832775 0.454000 0.00885523 0.00597402 0.00830897 0.466000 0.01568456 0.00560147 0.00827301 0.472000 0.01563053 0.00566688 0.00825880 0.478000 0.00797446 0.02458839 0.00824921 0.484000 0.02743246 0.00555810 0.00824656 0.490000 0.00340342 0.00573362 0.00825233 0.496000 0.00872405 0.00457870 0.00826303