# Pepsi-SANS version 2.4 from 31 July 2019 # Run at 1d203b844e1c on Mon Jun 13 12:54:04 2022 # Command-line arguments: executables/Pepsi-SANS uploads/9641501_3l8wtm_corr.pdb uploads/9641501_D-UOX-OE.dat -o results/9641501_.out --json --dist --cst --neg --conc 1 --d2o 1.0 --deut 0.0 --exchange 0.9 --dro 5 # Intensities are written in cm-1 # r0: 1.58 d_rho: 0.02 Chi2: 15.78 # q I exp dI exp I fit 0.006000 1.07270500 0.03908982 1.05837375 0.008000 1.05379000 0.01755387 1.04607624 0.010000 1.03387800 0.00663172 1.03332729 0.012000 1.03373100 0.00447448 1.01967463 0.014000 1.00729400 0.00326059 1.00466599 0.016000 0.99266410 0.00373105 0.98784907 0.018000 0.97659360 0.00339225 0.96877157 0.020000 0.95421760 0.00258100 0.94710732 0.022000 0.92193350 0.00286739 0.92303487 0.024000 0.90010640 0.00289833 0.89685894 0.026000 0.86906200 0.00216626 0.86888424 0.028000 0.84258820 0.00251783 0.83941549 0.030000 0.80735080 0.00238463 0.80875742 0.032000 0.77992560 0.00190886 0.77718682 0.034000 0.73709190 0.00219979 0.74486873 0.036000 0.71021150 0.00218193 0.71194022 0.038000 0.67696330 0.00167057 0.67853840 0.040000 0.64312680 0.00223989 0.64480036 0.042000 0.61478150 0.00192556 0.61086321 0.044000 0.57847280 0.00150487 0.57686734 0.046000 0.54200310 0.00177955 0.54296627 0.048000 0.50289840 0.00141274 0.50931681 0.050000 0.46925310 0.00167123 0.47607578 0.052000 0.44193580 0.00157430 0.44340000 0.054000 0.40688830 0.00127011 0.41144633 0.056000 0.37416580 0.00148221 0.38035898 0.058000 0.35074940 0.00147192 0.35023147 0.060000 0.30802930 0.00089932 0.32114469 0.066000 0.24463690 0.00060961 0.24093782 0.072000 0.17548340 0.00054102 0.17270637 0.078000 0.12260670 0.00054181 0.11711470 0.084000 0.08117458 0.00052806 0.07426420 0.090000 0.05064966 0.00069801 0.04321956 0.096000 0.03126265 0.00075614 0.02265931 0.102000 0.01572454 0.00050717 0.01075442 0.108000 0.01046069 0.00048789 0.00555192 0.114000 0.00931663 0.00044225 0.00511206 0.120000 0.00962131 0.00049741 0.00759186 0.126000 0.01095982 0.00042999 0.01152400 0.132000 0.01506904 0.00052395 0.01565775 0.138000 0.01666803 0.00046356 0.01923453 0.144000 0.01820872 0.00040770 0.02171877 0.150000 0.01894450 0.00055132 0.02297570 0.156000 0.02022733 0.00040162 0.02302237 0.162000 0.01889169 0.00038291 0.02208230 0.168000 0.01975089 0.00040087 0.02043627 0.174000 0.01690931 0.00036691 0.01838697 0.180000 0.01662716 0.00039171 0.01622184 0.186000 0.01441695 0.00036043 0.01414475 0.192000 0.01306960 0.00030058 0.01231383 0.198000 0.01198777 0.00038092 0.01078752 0.204000 0.01057334 0.00033042 0.00958440 0.210000 0.00877392 0.00029235 0.00866338 0.216000 0.00833421 0.00045218 0.00796612 0.222000 0.00783343 0.00032036 0.00742531 0.228000 0.00702595 0.00024387 0.00697661 0.234000 0.00691148 0.00033690 0.00657679 0.240000 0.00573634 0.00036603 0.00619384 0.246000 0.00598541 0.00026535 0.00581952 0.252000 0.00543079 0.00033512 0.00545410 0.258000 0.00481477 0.00030722 0.00510812 0.264000 0.00483723 0.00029894 0.00479384 0.270000 0.00462748 0.00038384 0.00452002 0.276000 0.00403044 0.00025077 0.00429250 0.282000 0.00396300 0.00034027 0.00410891 0.288000 0.00364412 0.00030661 0.00396376 0.294000 0.00362425 0.00024231 0.00384722 0.300000 0.00348925 0.00028695 0.00374891 0.306000 0.00305230 0.00020849 0.00366046 0.312000 0.00318949 0.00029614 0.00357529 0.318000 0.00358315 0.00032308 0.00349183 0.324000 0.00296881 0.00026751 0.00341062 0.330000 0.00333109 0.00026753 0.00333547 0.336000 0.00287986 0.00029909 0.00327084 0.342000 0.00306340 0.00023627 0.00322051 0.348000 0.00322422 0.00027189 0.00318726 0.354000 0.00302288 0.00027833 0.00317062 0.360000 0.00332755 0.00029010 0.00316857 0.366000 0.00318401 0.00043625 0.00317637 0.372000 0.00310564 0.00032517 0.00318852 0.378000 0.00255896 0.00047632 0.00319946 0.384000 0.00331676 0.00039067 0.00320412 0.390000 0.00287310 0.00039813 0.00319981 0.396000 0.00243880 0.00058419 0.00318511 0.402000 0.00282852 0.00043541 0.00316143 0.408000 0.00297673 0.00048558 0.00313125 0.414000 0.00289957 0.00046592 0.00309844 0.420000 0.00283972 0.00047844 0.00306706 0.426000 0.00319883 0.00036915 0.00304051 0.432000 0.00242790 0.00033285 0.00302154 0.438000 0.00248507 0.00071341 0.00301104 0.444000 0.00227486 0.00058495 0.00300902 0.450000 0.00210667 0.00064742 0.00301382 0.456000 0.00295668 0.00048541 0.00302319 0.462000 0.00025748 0.00148261 0.00303433 0.468000 0.00337944 0.00133192 0.00304447 0.474000 0.00281848 0.00047208 0.00305155 0.480000 0.00264758 0.00047245 0.00305387 0.486000 0.00772056 0.00166320 0.00305026 0.492000 0.00150992 0.00246502 0.00304045 0.498000 0.00292028 0.00059989 0.00302714