# Pepsi-SANS version 2.4 from 31 July 2019 # Run at 1d203b844e1c on Mon Jun 13 17:01:03 2022 # Command-line arguments: executables/Pepsi-SANS uploads/7853600_2vb1-NoACT_EDO_NO3.pdb uploads/7853600_H-Lys-OE.dat -o results/7853600_.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: 1.63 d_rho: 0.02 Chi2: 2.91 # q I exp dI exp I fit 0.010000 1.14510700 0.03509007 0.99203805 0.012000 0.99750670 0.03336147 0.98777570 0.014000 1.02986800 0.03006286 0.98346541 0.016000 1.01362400 0.01920133 0.97905929 0.018000 0.99366100 0.01935476 0.97450946 0.020000 0.97915110 0.01965706 0.96976802 0.022000 0.96831000 0.02445379 0.96478710 0.024000 0.93325290 0.01865272 0.95951881 0.026000 0.97805970 0.02138321 0.95391526 0.028000 0.94940680 0.01628962 0.94792857 0.030000 0.96383980 0.01391014 0.94151087 0.032000 0.94184170 0.01966053 0.93461426 0.034000 0.92311520 0.01542958 0.92719156 0.036000 0.92504740 0.01239314 0.91922646 0.038000 0.89768020 0.01397823 0.91074478 0.040000 0.91399710 0.01151619 0.90177537 0.042000 0.87235840 0.01395346 0.89234709 0.044000 0.88332330 0.01154136 0.88248878 0.046000 0.88740280 0.01060521 0.87222931 0.048000 0.85040750 0.01207907 0.86159753 0.050000 0.85305690 0.01268864 0.85062230 0.052000 0.84389700 0.01276395 0.83933246 0.054000 0.83921890 0.01057174 0.82775688 0.056000 0.82399740 0.01026139 0.81592440 0.058000 0.80345440 0.01710297 0.80386265 0.060000 0.79026530 0.01154896 0.79158890 0.062000 0.79288490 0.00927712 0.77911524 0.064000 0.78290920 0.01142901 0.76645376 0.066000 0.75586070 0.01379431 0.75361652 0.068000 0.74552550 0.00791747 0.74061559 0.070000 0.71938710 0.01302974 0.72746305 0.072000 0.72188730 0.00934732 0.71417097 0.074000 0.68998670 0.01579241 0.70075142 0.076000 0.69455080 0.00981544 0.68721647 0.078000 0.65513110 0.00587402 0.67357818 0.084000 0.61998030 0.00720236 0.63216925 0.090000 0.58619240 0.00816306 0.59032608 0.096000 0.55422890 0.00824695 0.54845945 0.102000 0.47975560 0.01051480 0.50698041 0.108000 0.47507960 0.00912703 0.46628371 0.114000 0.40894620 0.00751523 0.42665807 0.120000 0.36576840 0.00776151 0.38835000 0.126000 0.33534740 0.00873864 0.35160582 0.132000 0.29756200 0.00836753 0.31665030 0.138000 0.25454120 0.00834586 0.28361320 0.144000 0.23022020 0.00710657 0.25259817 0.150000 0.23282800 0.00609376 0.22370880 0.156000 0.19724610 0.00894466 0.19701985 0.162000 0.16764840 0.00583042 0.17251903 0.168000 0.13442760 0.00887213 0.15017779 0.174000 0.15548050 0.00667802 0.12996739 0.180000 0.12478530 0.00557728 0.11183573 0.186000 0.10324390 0.00807559 0.09568173 0.192000 0.10378950 0.00642082 0.08139815 0.198000 0.09101426 0.00615792 0.06887753 0.204000 0.06181573 0.00711513 0.05800240 0.210000 0.06107926 0.00564677 0.04864031 0.216000 0.05611490 0.00711469 0.04065762 0.222000 0.04829249 0.00613512 0.03392094 0.228000 0.03178956 0.00599294 0.02830266 0.234000 0.03758392 0.00597204 0.02368138 0.240000 0.02866785 0.00481992 0.01993602 0.246000 0.03648391 0.00636511 0.01694660 0.252000 0.02195792 0.00579265 0.01460980 0.258000 0.01625823 0.00508395 0.01283500 0.264000 0.01349463 0.00571220 0.01153192 0.270000 0.01090420 0.00490233 0.01061239 0.276000 0.02298522 0.00617088 0.01000792 0.282000 0.02341164 0.00512783 0.00966077 0.288000 0.01944496 0.00603031 0.00951326 0.294000 0.01840149 0.00599123 0.00951049 0.300000 0.02090796 0.00595571 0.00961432 0.306000 -0.00305993 0.00532880 0.00979304 0.312000 0.00433635 0.00457021 0.01001495 0.318000 0.01966551 0.00644244 0.01025116 0.324000 -0.00693001 0.00494299 0.01048455 0.330000 0.00275689 0.00460448 0.01070109 0.336000 -0.00936057 0.00486472 0.01088673 0.342000 0.01569604 0.00702735 0.01102997 0.348000 0.01315110 0.00476123 0.01112653 0.354000 0.00039877 0.00468261 0.01117344 0.360000 0.01135852 0.00575364 0.01116773 0.366000 0.00177497 0.00570826 0.01110841 0.372000 0.01198389 0.00493096 0.01099845 0.378000 0.00012168 0.00503071 0.01084130 0.384000 0.00158331 0.00520113 0.01064042 0.390000 0.00550896 0.00439964 0.01040037 0.396000 0.00353846 0.00582303 0.01012729 0.402000 0.00058828 0.00546010 0.00982742 0.408000 -0.00105172 0.00542737 0.00950702 0.414000 0.00871590 0.00733463 0.00917241 0.420000 -0.00330211 0.00722449 0.00882998 0.426000 -0.00226591 0.00616507 0.00848614 0.432000 -0.00235314 0.00896432 0.00814717 0.438000 0.01073717 0.00725402 0.00781783 0.444000 0.00758916 0.00593045 0.00750176 0.450000 0.00607449 0.00731990 0.00720255 0.456000 0.00985287 0.00854484 0.00692382 0.462000 0.00483485 0.00727941 0.00666909 0.468000 0.00981169 0.00598677 0.00644188 0.474000 0.00543884 0.00724031 0.00624569 0.480000 0.00889631 0.00836855 0.00608263 0.486000 0.00652648 0.00736954 0.00594666 0.492000 0.03090568 0.00879281 0.00582874 0.498000 0.00982349 0.01058321 0.00571986