# Pepsi-SANS version 3.0 from May 2020 # Run at cubittpc2 on Wed Jun 5 19:56:05 2024 # Command-line arguments: /home/lss/lycksell/software/Pepsi-SANS ../../../../../../../simulationAnalysisMarie/additionalSimulationsML/open_edta_pH5_cryoEM/analys/pdbFrames/md1_nojumpFit99.pdb ../../../declic_ph5_cacl2_concNorm_constSub.dat -o pH5cacl2_md1_fit99.fit --d2o 1 # Intensities are written in cm-1 # r0: 1.53 d_rho: 0.02 Chi2: 5.44 # q I exp dI exp I fit 6.452000000000000270e-03 3.054341026489999877e+03 5.740611655000000013e+01 2.908965265129999807e+03 7.355999999999999692e-03 2.976050544079999781e+03 3.226230827999999917e+01 2.884585049350000190e+03 8.149999999999999259e-03 2.958420907879999959e+03 2.380875946999999826e+01 2.862528836030000093e+03 9.065999999999999406e-03 2.924806462619999820e+03 1.670545058000000083e+01 2.832299210749999929e+03 1.001999999999999939e-02 2.881304665279999881e+03 1.579715367999999920e+01 2.795764292540000042e+03 1.086900000000000019e-02 2.805084256059999916e+03 1.484495191000000069e+01 2.758820928489999915e+03 1.174099999999999970e-02 2.782052463619999799e+03 1.288580087999999968e+01 2.717792377339999803e+03 1.265100000000000079e-02 2.717046998079999867e+03 1.256545228999999964e+01 2.672076522010000190e+03 1.357500000000000026e-02 2.662293626700000004e+03 1.139177996999999998e+01 2.622660097559999940e+03 1.461999999999999932e-02 2.600713026259999879e+03 1.005567513999999996e+01 2.563111118270000134e+03 1.573599999999999999e-02 2.514515607610000188e+03 9.824503110000000206e+00 2.495225196129999858e+03 1.682200000000000015e-02 2.436557386940000015e+03 9.250005890000000619e+00 2.425368326740000157e+03 1.787499999999999853e-02 2.358495132560000002e+03 8.590327159999999296e+00 2.354734670639999877e+03 1.882100000000000092e-02 2.298036017160000029e+03 8.902566359999999790e+00 2.289411017509999965e+03 1.971300000000000135e-02 2.234561434910000116e+03 8.176997809999999589e+00 2.226158319210000172e+03 2.069599999999999912e-02 2.143236612109999896e+03 7.796325799999999973e+00 2.154668811170000026e+03 2.170000000000000054e-02 2.086633841180000218e+03 7.413542910000000319e+00 2.080216135080000186e+03 2.275900000000000145e-02 1.998011662359999946e+03 6.903285900000000197e+00 2.000379913490000035e+03 2.388399999999999898e-02 1.908424459309999975e+03 6.545758509999999752e+00 1.914902463429999898e+03 2.494599999999999942e-02 1.824080057110000098e+03 6.640507610000000227e+00 1.834397469960000080e+03 2.597800000000000109e-02 1.748637757559999955e+03 6.172193029999999858e+00 1.756514442650000092e+03 2.700400000000000023e-02 1.670589640720000034e+03 6.206131639999999727e+00 1.679511675729999979e+03 2.808700000000000085e-02 1.576984617390000039e+03 5.531143400000000376e+00 1.598650422160000062e+03 2.922299999999999898e-02 1.500390446610000026e+03 5.409856259999999750e+00 1.514523907259999987e+03 3.038000000000000075e-02 1.416455205470000010e+03 4.988656380000000112e+00 1.429936374930000056e+03 3.153299999999999853e-02 1.328959754120000071e+03 4.949181330000000045e+00 1.347072805990000006e+03 3.269799999999999790e-02 1.254621197859999938e+03 4.666217170000000358e+00 1.265294648110000026e+03 3.382999999999999896e-02 1.167834155150000015e+03 4.731180929999999840e+00 1.188020178199999918e+03 3.489500000000000240e-02 1.095649482799999987e+03 4.599771030000000316e+00 1.117450931750000109e+03 3.599100000000000216e-02 1.038506054790000007e+03 4.484190599999999804e+00 1.047011038079999935e+03 3.712100000000000122e-02 9.669255941699999539e+02 4.246605409999999914e+00 9.767441267899999957e+02 3.830900000000000277e-02 8.946202506800000265e+02 3.949834710000000193e+00 9.055845352400000365e+02 3.955000000000000182e-02 8.265838774899999635e+02 3.783393719999999849e+00 8.344300620100000287e+02 4.080099999999999699e-02 7.475932944500000303e+02 3.769141279999999927e+00 7.663204860199999757e+02 4.204299999999999704e-02 6.953443565300000273e+02 3.571445279999999833e+00 7.026393571700000393e+02 4.324599999999999972e-02 6.354195956400000114e+02 3.523615120000000100e+00 6.446572722800000292e+02 4.440600000000000103e-02 5.880490792599999850e+02 3.378835399999999822e+00 5.920320854300000519e+02 4.568799999999999945e-02 5.353789785100000245e+02 3.113591609999999843e+00 5.373740289099999927e+02 4.705800000000000261e-02 4.800416495599999962e+02 3.094838619999999985e+00 4.832231846000000246e+02 4.834600000000000009e-02 4.394499081899999737e+02 3.112952239999999815e+00 4.363661539799999787e+02 4.960099999999999926e-02 3.955875550100000169e+02 2.953839330000000096e+00 3.945832903500000270e+02 5.089199999999999974e-02 3.599893713800000228e+02 2.851179290000000144e+00 3.553084202399999754e+02 5.222000000000000253e-02 3.224813664100000210e+02 2.748296890000000214e+00 3.185055672600000207e+02 5.362399999999999806e-02 2.899068220400000087e+02 2.638224489999999811e+00 2.833565201299999785e+02 5.506199999999999983e-02 2.601509716099999991e+02 2.627499460000000120e+00 2.513068728000000078e+02 5.644400000000000112e-02 2.331449853100000098e+02 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2.921768230000000077e+00 8.278778545999999494e+01 7.339500000000000191e-02 9.164622407999999609e+01 3.142542450000000098e+00 7.770985478000000057e+01 7.509699999999999709e-02 8.304510256999999740e+01 3.317029660000000213e+00 7.340424539999999354e+01 7.682600000000000540e-02 7.441532114999999692e+01 3.483054899999999954e+00 6.977315124000000424e+01 7.857899999999999607e-02 7.039774835999999425e+01 3.737386190000000052e+00 6.662522194000000297e+01 8.033700000000000563e-02 6.450423080999999570e+01 4.013808830000000327e+00 6.384471527000000179e+01 8.211100000000000343e-02 6.067800163999999796e+01 4.188973050000000420e+00 6.129217875999999876e+01 8.389800000000000035e-02 5.839693323000000191e+01 4.668456210000000439e+00 5.887106879000000248e+01 8.573600000000000665e-02 5.360157011999999810e+01 5.329855769999999993e+00 5.648267346000000089e+01 8.762399999999999356e-02 5.327585606000000240e+01 5.850831839999999673e+00 5.408260291999999936e+01 8.945799999999999585e-02 4.840671350000000217e+01 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2.475225850000000172e+00 2.532769835999999941e+01 1.165520000000000028e-01 2.373184038999999856e+01 2.152135110000000129e+00 2.370989727999999985e+01 1.195599999999999996e-01 2.426631821000000144e+01 2.296680900000000136e+00 2.196887362000000010e+01 1.220320000000000016e-01 2.228199907000000124e+01 2.015346710000000208e+00 2.074087414999999979e+01 1.250120000000000120e-01 2.116854606000000061e+01 2.167312480000000097e+00 1.948179985000000158e+01 1.276269999999999905e-01 2.176095617000000004e+01 1.918252649999999893e+00 1.856017336000000029e+01 1.308030000000000026e-01 2.114357624000000158e+01 1.973463140000000005e+00 1.765546164999999945e+01 1.334809999999999885e-01 1.910874996000000081e+01 1.834914090000000053e+00 1.706446457999999922e+01 1.367039999999999922e-01 1.785957665000000105e+01 1.829416640000000038e+00 1.655002372999999949e+01 1.394910000000000039e-01 1.795647053000000071e+01 1.773824690000000093e+00 1.626208671999999922e+01 1.428260000000000085e-01 1.673741607999999914e+01 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6.260293599999999792e-01 7.981501899999999816e-01 4.016109999999999958e-01 6.530648599999999693e-01 6.319257099999999738e-01 7.730395799999999484e-01 4.094709999999999739e-01 1.752055200000000035e+00 6.282310399999999628e-01 7.451688899999999727e-01 4.175459999999999727e-01 8.164928799999999764e-01 6.151564600000000160e-01 7.127999299999999705e-01 4.257110000000000061e-01 8.663618299999999994e-01 6.227604599999999602e-01 6.770223800000000347e-01 4.340390000000000081e-01 1.167948130000000084e+00 6.064369099999999957e-01 6.399206699999999692e-01 4.425549999999999762e-01 1.678349270000000004e+00 6.105232499999999618e-01 6.044504200000000438e-01 4.512539999999999885e-01 9.295897600000000427e-01 5.997085399999999566e-01 5.730571300000000257e-01 4.600560000000000205e-01 1.411539749999999982e+00 6.042959500000000261e-01 5.469308200000000397e-01 4.689760000000000040e-01 1.165749380000000057e+00 5.886643099999999684e-01 5.257245600000000074e-01 4.783169999999999922e-01 8.443264799999999903e-01 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