# Pepsi-SANS version 3.0 from May 2020
# Run at cubittpc2 on Wed Jun  5 19:19:53 2024
# Command-line arguments: /home/lss/lycksell/software/Pepsi-SANS ../../../../../../../simulationAnalysisMarie/additionalSimulationsML/closed_ca_pH5_cryoEM/1boundCa2_pH5/analys/pdbFrames/md2_nojumpFit78.pdb ../../../declic_ph5_edta_concNorm_constSub.dat -o pH5edta_md2_fit78.fit --d2o 1 
# Intensities are written in cm-1
# r0:   1.53 d_rho:   0.03 Chi2:   9.52
#          q                      I exp                   dI exp                   I fit
6.452000000000000270e-03 3.072215969809999933e+03 5.884120881999999852e+01 2.879242651999999907e+03
7.355999999999999692e-03 2.936360735329999898e+03 3.287318462000000352e+01 2.854301558139999997e+03
8.149999999999999259e-03 2.939987714299999880e+03 2.408890587000000139e+01 2.831739871249999851e+03
9.065999999999999406e-03 2.878801087819999793e+03 1.679841167000000013e+01 2.800820729279999796e+03
1.001999999999999939e-02 2.819243489439999848e+03 1.574966543000000030e+01 2.763457524060000196e+03
1.086900000000000019e-02 2.787339288189999934e+03 1.477075392000000065e+01 2.725683522369999991e+03
1.174099999999999970e-02 2.729784427309999955e+03 1.271351972999999980e+01 2.683741263609999805e+03
1.265100000000000079e-02 2.687537004840000009e+03 1.240823141999999990e+01 2.637019403610000154e+03
1.357500000000000026e-02 2.608228499750000083e+03 1.126765278000000059e+01 2.586530386460000045e+03
1.461999999999999932e-02 2.534772028049999790e+03 9.941639110000000557e+00 2.525708725980000054e+03
1.573599999999999999e-02 2.461783736639999915e+03 9.805111910000000819e+00 2.456398493140000028e+03
1.682200000000000015e-02 2.386724729919999845e+03 9.155762899999999149e+00 2.385106907310000224e+03
1.787499999999999853e-02 2.309839722059999986e+03 8.452468870000000578e+00 2.313055906019999838e+03
1.882100000000000092e-02 2.241298864989999856e+03 8.679227729999999141e+00 2.246452533870000025e+03
1.971300000000000135e-02 2.175538932519999889e+03 7.999122700000000030e+00 2.181992885569999999e+03
2.069599999999999912e-02 2.092984983249999914e+03 7.726294529999999661e+00 2.109182754689999911e+03
2.170000000000000054e-02 2.018446525710000060e+03 7.289206959999999569e+00 2.033399462919999905e+03
2.275900000000000145e-02 1.945487545709999949e+03 6.864387899999999654e+00 1.952200538450000067e+03
2.388399999999999898e-02 1.853682931379999900e+03 6.480515269999999717e+00 1.865337733540000045e+03
2.494599999999999942e-02 1.767969879539999965e+03 6.599250800000000083e+00 1.783605564649999906e+03
2.597800000000000109e-02 1.682760502480000014e+03 6.120886539999999876e+00 1.704617493559999957e+03
2.700400000000000023e-02 1.605200960440000017e+03 6.160262600000000255e+00 1.626605573569999933e+03
2.808700000000000085e-02 1.525268527100000028e+03 5.513568679999999667e+00 1.544786627890000091e+03
2.922299999999999898e-02 1.437342667789999950e+03 5.391358519999999821e+00 1.459783232439999892e+03
3.038000000000000075e-02 1.357447432290000052e+03 4.984294160000000140e+00 1.374449904329999981e+03
3.153299999999999853e-02 1.276523978010000064e+03 4.927620509999999676e+00 1.291003901569999925e+03
3.269799999999999790e-02 1.186586319179999919e+03 4.692965159999999969e+00 1.208813292970000020e+03
3.382999999999999896e-02 1.116818560089999892e+03 4.732019379999999664e+00 1.131311619800000017e+03
3.489500000000000240e-02 1.043562720480000053e+03 4.646091560000000342e+00 1.060694276330000093e+03
3.599100000000000216e-02 9.796342618999999559e+02 4.541849199999999698e+00 9.903745827100000270e+02
3.712100000000000122e-02 9.068727318300000206e+02 4.310802329999999571e+00 9.204197271499999715e+02
3.830900000000000277e-02 8.379814053400000375e+02 4.012673470000000187e+00 8.498006300499999952e+02
3.955000000000000182e-02 7.756938747699999794e+02 3.848744669999999868e+00 7.794434649099999888e+02
4.080099999999999699e-02 7.067939456699999710e+02 3.866420220000000185e+00 7.123753507400000444e+02
4.204299999999999704e-02 6.487649936699999671e+02 3.655418529999999944e+00 6.499588591599999745e+02
4.324599999999999972e-02 5.959307333000000426e+02 3.606315570000000026e+00 5.934137661700000308e+02
4.440600000000000103e-02 5.444518374499999709e+02 3.457416470000000075e+00 5.423722788000000037e+02
4.568799999999999945e-02 4.932488929200000030e+02 3.217758100000000177e+00 4.896874780300000225e+02
4.705800000000000261e-02 4.492150272399999835e+02 3.206660530000000175e+00 4.378850693100000058e+02
4.834600000000000009e-02 4.050156698999999776e+02 3.234409649999999914e+00 3.934365012100000172e+02
4.960099999999999926e-02 3.724920746399999985e+02 3.066323609999999977e+00 3.541652182400000015e+02
5.089199999999999974e-02 3.361413262099999884e+02 2.974246840000000169e+00 3.176304130699999746e+02
5.222000000000000253e-02 3.019849101500000188e+02 2.870503300000000202e+00 2.838027832500000045e+02
5.362399999999999806e-02 2.716768174100000124e+02 2.774106960000000122e+00 2.519427457600000082e+02
5.506199999999999983e-02 2.459961795799999891e+02 2.768743399999999966e+00 2.233714535000000012e+02
5.644400000000000112e-02 2.215286653299999955e+02 2.699445869999999914e+00 1.995805357600000036e+02
5.782799999999999746e-02 2.066025772399999880e+02 2.633399499999999893e+00 1.790526428999999951e+02
5.929000000000000242e-02 1.837059184899999877e+02 2.530967609999999812e+00 1.605577800300000035e+02
6.079699999999999688e-02 1.661482705200000112e+02 2.500620599999999971e+00 1.445821282199999871e+02
6.230100000000000221e-02 1.570329418400000066e+02 2.488669980000000059e+00 1.314906532200000129e+02
6.383600000000000385e-02 1.423793175200000007e+02 2.576608719999999852e+00 1.206041599200000007e+02
6.534900000000000431e-02 1.317016658899999868e+02 2.624355439999999984e+00 1.120692646800000034e+02
6.684400000000000064e-02 1.239801605100000046e+02 2.632883280000000159e+00 1.053135438999999991e+02
6.841400000000000259e-02 1.172746533600000021e+02 2.769486919999999852e+00 9.980556061999999429e+01
7.006800000000000528e-02 1.065953317499999997e+02 2.993245589999999900e+00 9.533085165999999333e+01
7.172599999999999809e-02 1.008561331500000051e+02 3.116980809999999824e+00 9.189463886999999431e+01
7.339500000000000191e-02 9.902047269000000540e+01 3.356530339999999946e+00 8.921196987000000433e+01
7.509699999999999709e-02 8.913402055999999618e+01 3.546458530000000220e+00 8.699993453000000443e+01
7.682600000000000540e-02 8.373179983999999365e+01 3.731331770000000159e+00 8.509937530000000550e+01
7.857899999999999607e-02 8.456836576999999977e+01 3.989021530000000038e+00 8.331151085999999850e+01
8.033700000000000563e-02 8.135530538000000433e+01 4.286723730000000288e+00 8.150420246999999563e+01
8.211100000000000343e-02 7.257982807000000491e+01 4.480741959999999580e+00 7.955181571999999335e+01
8.389800000000000035e-02 7.455740016000000026e+01 4.996800549999999674e+00 7.738833178999999518e+01
8.573600000000000665e-02 6.300609575000000007e+01 5.709000770000000280e+00 7.490492840000000285e+01
8.762399999999999356e-02 5.861319584999999677e+01 6.284653569999999689e+00 7.208118168999999398e+01
8.945799999999999585e-02 5.861772775000000024e+01 8.551421210000000883e+00 6.908997752999999875e+01
9.136299999999999977e-02 5.031416458000000347e+01 1.307311072999999979e+01 6.573252963000000193e+01
9.374499999999999500e-02 5.066952760000000211e+01 3.009504119999999894e+00 6.124464008000000348e+01
9.621499999999999497e-02 4.641662646999999708e+01 3.812853099999999884e+00 5.644033796000000081e+01
9.878299999999999581e-02 4.085629923999999846e+01 2.894415770000000165e+00 5.143007515000000041e+01
1.011319999999999997e-01 3.843638055000000264e+01 3.191290940000000020e+00 4.695895589999999942e+01
1.039039999999999964e-01 3.485751778000000201e+01 2.781730959999999975e+00 4.195283606000000276e+01
1.061359999999999942e-01 3.130320681999999977e+01 2.810151910000000086e+00 3.820980730000000136e+01
1.089920000000000055e-01 2.669377811000000023e+01 2.706144880000000086e+00 3.389007675999999947e+01
1.112439999999999957e-01 2.485794899000000058e+01 2.555910110000000124e+00 3.088274127000000036e+01
1.141289999999999943e-01 2.840731230999999823e+01 2.619401509999999877e+00 2.755438217000000023e+01
1.165520000000000028e-01 2.181805062999999834e+01 2.258710869999999815e+00 2.518333545999999856e+01
1.195599999999999996e-01 2.438792592000000070e+01 2.419151589999999796e+00 2.278223849000000101e+01
1.220320000000000016e-01 2.229794272000000177e+01 2.112048769999999909e+00 2.120618895000000137e+01
1.250120000000000120e-01 2.105139791999999943e+01 2.283371170000000117e+00 1.971538341999999844e+01
1.276269999999999905e-01 2.203574658000000142e+01 2.015939289999999939e+00 1.871955874000000009e+01
1.308030000000000026e-01 1.826140775000000005e+01 2.078360909999999784e+00 1.783478604000000090e+01
1.334809999999999885e-01 2.009791193999999948e+01 1.925892729999999942e+00 1.731656295999999884e+01
1.367039999999999922e-01 1.700321780000000160e+01 1.927172300000000060e+00 1.691811931999999885e+01
1.394910000000000039e-01 1.973973249000000152e+01 1.861837729999999969e+00 1.673072688999999968e+01
1.428260000000000085e-01 1.670798737999999872e+01 1.761873210000000078e+00 1.665235091999999995e+01
1.458079999999999932e-01 1.754689246999999952e+01 1.824920890000000018e+00 1.668393001999999825e+01
1.490489999999999871e-01 1.588328066999999955e+01 1.667698789999999986e+00 1.679011968000000010e+01
1.522870000000000057e-01 1.557713848999999939e+01 1.735416239999999943e+00 1.693101117000000144e+01
1.555010000000000003e-01 1.438495591999999945e+01 1.548540849999999969e+00 1.706711513999999852e+01
1.591029999999999944e-01 1.411554626999999940e+01 1.584801729999999909e+00 1.716965828000000016e+01
1.622810000000000086e-01 1.464555258999999943e+01 1.559843969999999969e+00 1.718097279999999927e+01
1.659559999999999924e-01 1.521259399999999928e+01 1.460590950000000054e+00 1.706702655000000135e+01
1.695780000000000065e-01 1.287202953000000072e+01 1.509747809999999912e+00 1.679775388999999919e+01
1.729459999999999886e-01 1.284753693000000041e+01 1.394342119999999907e+00 1.639849053000000012e+01
1.767839999999999967e-01 1.425548702999999939e+01 1.358786349999999921e+00 1.577362132000000017e+01
1.803990000000000038e-01 1.210128521000000035e+01 1.419951640000000070e+00 1.503614606000000009e+01
1.841409999999999991e-01 1.119057575000000071e+01 1.286851430000000018e+00 1.415068630000000027e+01
1.883019999999999972e-01 1.062924325000000003e+01 1.269341520000000001e+00 1.306448394999999962e+01
1.922669999999999935e-01 1.058198901999999997e+01 1.282841689999999923e+00 1.198323202999999992e+01
1.960280000000000078e-01 1.020673709000000073e+01 1.223278990000000066e+00 1.095621674000000034e+01
2.002329999999999943e-01 8.040235559999999282e+00 1.167469560000000017e+00 9.846788560000000246e+00
2.045410000000000006e-01 8.257038160000000460e+00 1.185414030000000007e+00 8.789500979999999686e+00
2.084940000000000127e-01 6.166593319999999601e+00 1.171132730000000066e+00 7.912081190000000319e+00
2.127519999999999967e-01 6.470282270000000224e+00 1.086424119999999993e+00 7.077390849999999567e+00
2.173200000000000132e-01 5.960385269999999736e+00 1.080670070000000038e+00 6.311824399999999891e+00
2.218310000000000004e-01 5.154725240000000319e+00 1.071935639999999967e+00 5.684173610000000210e+00
2.263590000000000046e-01 4.402377780000000129e+00 1.048183489999999995e+00 5.169279210000000013e+00
2.308250000000000024e-01 4.351034130000000388e+00 1.003575960000000045e+00 4.755881389999999875e+00
2.354890000000000039e-01 3.407936820000000200e+00 9.813439900000000549e-01 4.401230550000000186e+00
2.403760000000000063e-01 2.502594849999999926e+00 9.579933000000000476e-01 4.088128840000000430e+00
2.453770000000000118e-01 3.262383550000000021e+00 9.396745600000000476e-01 3.804778579999999799e+00
2.504259999999999819e-01 2.191846920000000143e+00 9.226366799999999868e-01 3.537377069999999790e+00
2.554830000000000156e-01 3.279963050000000102e+00 9.116099500000000022e-01 3.274879040000000074e+00
2.605520000000000058e-01 2.060025829999999836e+00 8.963612100000000193e-01 3.011910439999999856e+00
2.656729999999999925e-01 3.481523660000000131e+00 8.685522199999999859e-01 2.747930869999999803e+00
2.709480000000000222e-01 2.894040210000000002e+00 8.466452700000000053e-01 2.484234310000000168e+00
2.764039999999999830e-01 2.748626750000000118e+00 8.284613699999999747e-01 2.229500779999999960e+00
2.820059999999999789e-01 1.829756090000000057e+00 8.100641400000000436e-01 1.996282949999999889e+00
2.877080000000000193e-01 1.756971099999999897e+00 7.956354500000000218e-01 1.794102400000000097e+00
2.934419999999999806e-01 2.601469069999999828e+00 7.834461900000000423e-01 1.629232870000000055e+00
2.993100000000000205e-01 1.827402179999999987e+00 7.638387199999999710e-01 1.498037630000000009e+00
3.053080000000000238e-01 2.189787050000000068e+00 7.481400099999999664e-01 1.398350500000000052e+00
3.113710000000000089e-01 1.379969460000000092e+00 7.384965599999999686e-01 1.326806670000000077e+00
3.175589999999999802e-01 1.606293240000000067e+00 7.253039599999999698e-01 1.277288219999999974e+00
3.239130000000000065e-01 1.823343329999999929e+00 7.147493999999999792e-01 1.243956520000000010e+00
3.304150000000000142e-01 1.404281069999999909e+00 7.047188500000000078e-01 1.220726130000000076e+00
3.370090000000000030e-01 1.705601549999999911e+00 7.000765599999999589e-01 1.201017180000000018e+00
3.436699999999999755e-01 1.110520100000000010e+00 6.944627300000000281e-01 1.178564170000000022e+00
3.503680000000000128e-01 1.655002840000000086e+00 6.872850999999999821e-01 1.148786080000000043e+00
3.571509999999999962e-01 1.271439240000000082e+00 6.897282700000000322e-01 1.109143629999999936e+00
3.642619999999999747e-01 2.012402639999999909e+00 6.768671200000000443e-01 1.058056840000000109e+00
3.715749999999999886e-01 1.616487290000000021e+00 6.718721300000000118e-01 9.983652499999999819e-01
3.788839999999999986e-01 8.463113199999999781e-01 6.765640499999999724e-01 9.362741999999999454e-01
3.862419999999999742e-01 1.588178890000000010e+00 6.792437599999999742e-01 8.759943000000000035e-01
3.938440000000000274e-01 1.163869510000000052e+00 6.628076499999999704e-01 8.198419099999999515e-01
4.016109999999999958e-01 1.788478929999999911e+00 6.672677700000000378e-01 7.711356200000000216e-01
4.094709999999999739e-01 1.548468710000000081e+00 6.651329499999999451e-01 7.312982500000000385e-01
4.175459999999999727e-01 1.955100899999999919e+00 6.503816999999999515e-01 6.993384999999999740e-01
4.257110000000000061e-01 1.582446870000000061e+00 6.586157799999999840e-01 6.743935300000000188e-01
4.340390000000000081e-01 9.679056999999999800e-01 6.415901600000000204e-01 6.542538799999999544e-01
4.425549999999999762e-01 1.095785800000000032e+00 6.456186699999999501e-01 6.367487499999999745e-01
4.512539999999999885e-01 1.111553819999999915e+00 6.350600699999999765e-01 6.199096800000000185e-01
4.600560000000000205e-01 1.171380230000000022e+00 6.386376200000000170e-01 6.026199500000000153e-01
4.689760000000000040e-01 8.063460999999999546e-01 6.232497900000000257e-01 5.848879900000000243e-01
4.783169999999999922e-01 1.236923299999999948e+00 6.259061500000000500e-01 5.673337600000000203e-01
4.875570000000000181e-01 1.437844860000000002e+00 6.170317499999999900e-01 5.523283199999999837e-01
4.969999999999999973e-01 1.138518780000000064e+00 6.119801299999999555e-01 5.400376700000000252e-01