#### G N O M Version 5.0 (r14886) #### Sun Jul 14 21:13:02 2024 #### Configuration #### System Type: arbitrary monodisperse (job = 0) Minimum characteristic size: 0.0000 Maximum characteristic size: 125.0000 rad56: 0.0000 Force 0.0 at r = rmin: yes Force 0.0 at r = rmax: yes Initial alpha: 0.0000 Initial random seed: 179884435299178764 Points in real space: 251 Input 1: DPP9-6His_UAMC-0004918_RAW.dat First data point used: 7 Last data point used: 994 Scaling coefficient: 0.1000E+01 Experimental setup: point collimation #### Results #### Parameter DISCRP OSCILL STABIL SYSDEV POSITV VALCEN SMOOTH Weight 1.000 3.000 3.000 3.000 1.000 1.000 1.000 Sigma 0.300 0.600 0.120 0.120 0.120 0.120 0.600 Ideal 0.700 1.100 0.000 1.000 1.000 0.950 0.000 Current 0.576 1.227 0.001 0.965 1.000 0.923 0.473 -------------------------------------------------------- Estimate 0.844 0.956 1.000 0.916 1.000 0.950 0.538 Angular range: 0.0125 to 0.5210 Reciprocal space Rg: 0.4108E+02 Reciprocal space I(0): 0.2740E+03 Real space range: 0.0000 to 125.0000 Real space Rg: 0.4108E+02 +- 0.9253E-02 Real space I(0): 0.2740E+03 +- 0.5678E-01 Highest ALPHA (theor): 0.2381E+07 Current ALPHA: 0.2731E+03 Total Estimate: 0.9190 (a EXCELLENT solution) #### Experimental Data and Fit #### S J EXP ERROR J REG I REG 0.000000E+00 0.273985E+03 0.498699E-03 0.273946E+03 0.997398E-03 0.273831E+03 0.149610E-02 0.273639E+03 0.199480E-02 0.273372E+03 0.249349E-02 0.273028E+03 0.299219E-02 0.272608E+03 0.349089E-02 0.272113E+03 0.398959E-02 0.271542E+03 0.448829E-02 0.270898E+03 0.498699E-02 0.270178E+03 0.548569E-02 0.269386E+03 0.598439E-02 0.268521E+03 0.648309E-02 0.267583E+03 0.698179E-02 0.266574E+03 0.748048E-02 0.265495E+03 0.797918E-02 0.264346E+03 0.847788E-02 0.263128E+03 0.897658E-02 0.261843E+03 0.947528E-02 0.260491E+03 0.997398E-02 0.259073E+03 0.104727E-01 0.257591E+03 0.109714E-01 0.256046E+03 0.114701E-01 0.254439E+03 0.119688E-01 0.252771E+03 0.124675E-01 0.251318E+03 0.220678E+00 0.251043E+03 0.251043E+03 0.129827E-01 0.249390E+03 0.211961E+00 0.249198E+03 0.249198E+03 0.134979E-01 0.247045E+03 0.205759E+00 0.247292E+03 0.247292E+03 0.140131E-01 0.245470E+03 0.200889E+00 0.245328E+03 0.245328E+03 0.145283E-01 0.243864E+03 0.195462E+00 0.243306E+03 0.243306E+03 0.150435E-01 0.241199E+03 0.189560E+00 0.241229E+03 0.241229E+03 0.155587E-01 0.239305E+03 0.186487E+00 0.239098E+03 0.239098E+03 0.160739E-01 0.237521E+03 0.180587E+00 0.236915E+03 0.236915E+03 0.165891E-01 0.233963E+03 0.175504E+00 0.234682E+03 0.234682E+03 0.171043E-01 0.232424E+03 0.173620E+00 0.232401E+03 0.232401E+03 0.176195E-01 0.229634E+03 0.168068E+00 0.230073E+03 0.230073E+03 0.181347E-01 0.227482E+03 0.161891E+00 0.227700E+03 0.227700E+03 0.186499E-01 0.224964E+03 0.161677E+00 0.225285E+03 0.225285E+03 0.191651E-01 0.222863E+03 0.158340E+00 0.222829E+03 0.222829E+03 0.196803E-01 0.220386E+03 0.155129E+00 0.220334E+03 0.220334E+03 0.201955E-01 0.217741E+03 0.154138E+00 0.217802E+03 0.217802E+03 0.207107E-01 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0.290523E+00 0.314667E-01 0.290481E+00 0.290481E+00 0.457602E+00 0.278194E+00 0.316397E-01 0.290209E+00 0.290209E+00 0.458117E+00 0.295837E+00 0.315844E-01 0.289948E+00 0.289948E+00 0.458632E+00 0.228496E+00 0.315479E-01 0.289699E+00 0.289699E+00 0.459147E+00 0.284866E+00 0.317598E-01 0.289460E+00 0.289460E+00 0.459663E+00 0.288453E+00 0.315656E-01 0.289234E+00 0.289234E+00 0.460178E+00 0.236798E+00 0.316758E-01 0.289020E+00 0.289020E+00 0.460693E+00 0.279393E+00 0.317452E-01 0.288819E+00 0.288819E+00 0.461208E+00 0.304027E+00 0.318080E-01 0.288629E+00 0.288629E+00 0.461723E+00 0.280332E+00 0.318799E-01 0.288452E+00 0.288452E+00 0.462239E+00 0.290833E+00 0.319313E-01 0.288289E+00 0.288289E+00 0.462754E+00 0.268043E+00 0.321965E-01 0.288134E+00 0.288134E+00 0.463269E+00 0.290290E+00 0.321676E-01 0.287994E+00 0.287994E+00 0.463784E+00 0.284736E+00 0.322867E-01 0.287866E+00 0.287866E+00 0.464299E+00 0.274779E+00 0.323513E-01 0.287750E+00 0.287750E+00 0.464815E+00 0.259171E+00 0.324179E-01 0.287645E+00 0.287645E+00 0.465330E+00 0.233593E+00 0.324287E-01 0.287553E+00 0.287553E+00 0.465845E+00 0.263849E+00 0.326127E-01 0.287472E+00 0.287472E+00 0.466360E+00 0.305598E+00 0.325773E-01 0.287402E+00 0.287402E+00 0.466875E+00 0.329027E+00 0.327190E-01 0.287344E+00 0.287344E+00 0.467391E+00 0.315720E+00 0.329500E-01 0.287296E+00 0.287296E+00 0.467906E+00 0.251937E+00 0.329984E-01 0.287226E+00 0.287226E+00 0.468421E+00 0.257396E+00 0.332123E-01 0.287225E+00 0.287225E+00 0.468936E+00 0.301190E+00 0.331266E-01 0.287211E+00 0.287211E+00 0.469451E+00 0.288712E+00 0.333034E-01 0.287208E+00 0.287208E+00 0.469967E+00 0.265712E+00 0.333271E-01 0.287188E+00 0.287188E+00 0.470482E+00 0.225796E+00 0.334959E-01 0.287214E+00 0.287214E+00 0.470997E+00 0.294518E+00 0.336443E-01 0.287230E+00 0.287230E+00 0.471512E+00 0.269860E+00 0.336255E-01 0.287255E+00 0.287255E+00 0.472027E+00 0.277815E+00 0.337990E-01 0.287286E+00 0.287286E+00 0.472543E+00 0.331644E+00 0.340084E-01 0.287324E+00 0.287324E+00 0.473058E+00 0.295622E+00 0.342408E-01 0.287368E+00 0.287368E+00 0.473573E+00 0.337594E+00 0.341876E-01 0.287418E+00 0.287418E+00 0.474088E+00 0.246213E+00 0.341304E-01 0.287473E+00 0.287473E+00 0.474604E+00 0.309181E+00 0.344237E-01 0.287532E+00 0.287532E+00 0.475119E+00 0.276500E+00 0.344291E-01 0.287596E+00 0.287596E+00 0.475634E+00 0.254678E+00 0.346124E-01 0.287662E+00 0.287662E+00 0.476149E+00 0.261444E+00 0.347004E-01 0.287732E+00 0.287732E+00 0.476664E+00 0.343203E+00 0.347371E-01 0.287805E+00 0.287805E+00 0.477179E+00 0.365075E+00 0.348839E-01 0.287879E+00 0.287879E+00 0.477695E+00 0.248321E+00 0.351564E-01 0.287954E+00 0.287954E+00 0.478210E+00 0.238298E+00 0.353405E-01 0.288031E+00 0.288031E+00 0.478725E+00 0.215671E+00 0.350999E-01 0.288107E+00 0.288107E+00 0.479240E+00 0.303429E+00 0.353186E-01 0.288184E+00 0.288184E+00 0.479756E+00 0.268442E+00 0.354421E-01 0.288260E+00 0.288260E+00 0.480271E+00 0.299182E+00 0.354451E-01 0.288336E+00 0.288336E+00 0.480786E+00 0.299431E+00 0.356946E-01 0.288408E+00 0.288408E+00 0.481301E+00 0.282759E+00 0.357940E-01 0.288479E+00 0.288479E+00 0.481816E+00 0.279347E+00 0.358336E-01 0.288547E+00 0.288547E+00 0.482332E+00 0.252371E+00 0.360645E-01 0.288614E+00 0.288614E+00 0.482847E+00 0.332623E+00 0.362498E-01 0.288677E+00 0.288677E+00 0.483362E+00 0.338302E+00 0.362335E-01 0.288735E+00 0.288735E+00 0.483877E+00 0.310920E+00 0.362725E-01 0.288790E+00 0.288790E+00 0.484392E+00 0.262599E+00 0.364805E-01 0.288838E+00 0.288838E+00 0.484908E+00 0.317960E+00 0.364802E-01 0.288885E+00 0.288885E+00 0.485423E+00 0.338686E+00 0.366088E-01 0.288924E+00 0.288924E+00 0.485938E+00 0.255818E+00 0.368243E-01 0.288958E+00 0.288958E+00 0.486453E+00 0.259153E+00 0.368137E-01 0.288987E+00 0.288987E+00 0.486968E+00 0.299512E+00 0.371035E-01 0.289010E+00 0.289010E+00 0.487484E+00 0.304485E+00 0.371873E-01 0.289026E+00 0.289026E+00 0.487999E+00 0.244388E+00 0.373903E-01 0.289035E+00 0.289035E+00 0.488514E+00 0.313620E+00 0.371172E-01 0.289037E+00 0.289037E+00 0.489029E+00 0.273245E+00 0.371742E-01 0.289033E+00 0.289033E+00 0.489544E+00 0.288103E+00 0.372165E-01 0.289021E+00 0.289021E+00 0.490060E+00 0.273871E+00 0.374534E-01 0.289002E+00 0.289002E+00 0.490575E+00 0.327117E+00 0.374609E-01 0.288975E+00 0.288975E+00 0.491090E+00 0.250986E+00 0.378185E-01 0.288941E+00 0.288941E+00 0.491605E+00 0.276509E+00 0.378279E-01 0.288899E+00 0.288899E+00 0.492120E+00 0.308344E+00 0.381169E-01 0.288849E+00 0.288849E+00 0.492636E+00 0.275511E+00 0.386772E-01 0.288791E+00 0.288791E+00 0.493151E+00 0.292759E+00 0.383708E-01 0.288725E+00 0.288725E+00 0.493666E+00 0.283304E+00 0.386951E-01 0.288651E+00 0.288651E+00 0.494181E+00 0.270240E+00 0.388290E-01 0.288577E+00 0.288577E+00 0.494696E+00 0.287535E+00 0.390711E-01 0.288483E+00 0.288483E+00 0.495212E+00 0.289342E+00 0.391872E-01 0.288381E+00 0.288381E+00 0.495727E+00 0.242397E+00 0.393350E-01 0.288275E+00 0.288275E+00 0.496242E+00 0.255354E+00 0.398260E-01 0.288156E+00 0.288156E+00 0.496757E+00 0.320737E+00 0.398396E-01 0.288040E+00 0.288040E+00 0.497272E+00 0.248910E+00 0.401500E-01 0.287910E+00 0.287910E+00 0.497788E+00 0.321771E+00 0.403810E-01 0.287772E+00 0.287772E+00 0.498303E+00 0.317304E+00 0.401769E-01 0.287626E+00 0.287626E+00 0.498818E+00 0.305356E+00 0.406392E-01 0.287473E+00 0.287473E+00 0.499333E+00 0.255397E+00 0.407871E-01 0.287313E+00 0.287313E+00 0.499848E+00 0.269183E+00 0.410700E-01 0.287145E+00 0.287145E+00 0.500364E+00 0.229819E+00 0.410647E-01 0.286969E+00 0.286969E+00 0.500879E+00 0.300353E+00 0.413504E-01 0.286786E+00 0.286786E+00 0.501394E+00 0.301351E+00 0.415257E-01 0.286596E+00 0.286596E+00 0.501909E+00 0.332359E+00 0.420651E-01 0.286399E+00 0.286399E+00 0.502424E+00 0.417017E+00 0.423860E-01 0.286195E+00 0.286195E+00 0.502940E+00 0.306566E+00 0.420694E-01 0.285985E+00 0.285985E+00 0.503455E+00 0.266727E+00 0.422845E-01 0.285767E+00 0.285767E+00 0.503970E+00 0.289410E+00 0.423375E-01 0.285543E+00 0.285543E+00 0.504485E+00 0.378568E+00 0.427112E-01 0.285313E+00 0.285313E+00 0.505000E+00 0.272508E+00 0.426868E-01 0.285076E+00 0.285076E+00 0.505516E+00 0.336553E+00 0.425788E-01 0.284833E+00 0.284833E+00 0.506031E+00 0.383306E+00 0.436564E-01 0.284583E+00 0.284583E+00 0.506546E+00 0.387046E+00 0.438622E-01 0.284329E+00 0.284329E+00 0.507061E+00 0.278295E+00 0.446533E-01 0.284068E+00 0.284068E+00 0.507576E+00 0.316477E+00 0.450215E-01 0.283809E+00 0.283809E+00 0.508092E+00 0.256498E+00 0.453068E-01 0.283529E+00 0.283529E+00 0.508607E+00 0.365609E+00 0.455293E-01 0.283243E+00 0.283243E+00 0.509122E+00 0.301007E+00 0.461891E-01 0.282969E+00 0.282969E+00 0.509637E+00 0.307994E+00 0.466729E-01 0.282680E+00 0.282680E+00 0.510152E+00 0.268261E+00 0.468953E-01 0.282386E+00 0.282386E+00 0.510668E+00 0.377744E+00 0.476025E-01 0.282087E+00 0.282087E+00 0.511183E+00 0.241802E+00 0.480461E-01 0.281783E+00 0.281783E+00 0.511698E+00 0.298996E+00 0.489641E-01 0.281473E+00 0.281473E+00 0.512213E+00 0.267808E+00 0.500190E-01 0.281158E+00 0.281158E+00 0.512728E+00 0.394609E+00 0.496340E-01 0.280844E+00 0.280844E+00 0.513244E+00 0.248807E+00 0.505193E-01 0.280515E+00 0.280515E+00 0.513759E+00 0.302970E+00 0.511777E-01 0.280185E+00 0.280185E+00 0.514274E+00 0.431843E+00 0.520477E-01 0.279849E+00 0.279849E+00 0.514789E+00 0.487756E+00 0.534252E-01 0.279513E+00 0.279513E+00 0.515304E+00 0.294027E+00 0.543343E-01 0.279168E+00 0.279168E+00 0.515820E+00 0.304977E+00 0.551929E-01 0.278819E+00 0.278819E+00 0.516335E+00 0.371886E+00 0.561449E-01 0.278466E+00 0.278466E+00 0.516850E+00 0.358891E+00 0.583554E-01 0.278107E+00 0.278107E+00 0.517365E+00 0.306919E+00 0.619512E-01 0.277744E+00 0.277744E+00 0.517880E+00 0.323043E+00 0.618565E-01 0.277376E+00 0.277376E+00 0.518396E+00 0.330987E+00 0.630638E-01 0.277003E+00 0.277003E+00 0.518911E+00 0.262952E+00 0.639159E-01 0.276625E+00 0.276625E+00 0.519426E+00 0.399633E+00 0.675907E-01 0.276243E+00 0.276243E+00 0.519941E+00 0.346876E+00 0.712514E-01 0.275821E+00 0.275821E+00 0.520456E+00 0.240682E+00 0.752382E-01 0.275460E+00 0.275460E+00 0.520972E+00 0.321883E+00 0.108795E+00 0.275065E+00 0.275065E+00 #### Real Space Data #### Distance distribution function of particle R P(R) ERROR 0.0000E+00 0.0000E+00 0.0000E+00 0.5000E+00 0.2840E-02 0.4221E-04 0.1000E+01 0.5388E-02 0.6957E-04 0.1500E+01 0.7664E-02 0.8300E-04 0.2000E+01 0.9706E-02 0.8400E-04 0.2500E+01 0.1156E-01 0.7464E-04 0.3000E+01 0.1329E-01 0.5772E-04 0.3500E+01 0.1496E-01 0.3790E-04 0.4000E+01 0.1664E-01 0.2807E-04 0.4500E+01 0.1840E-01 0.4278E-04 0.5000E+01 0.2031E-01 0.6674E-04 0.5500E+01 0.2244E-01 0.8981E-04 0.6000E+01 0.2485E-01 0.1086E-03 0.6500E+01 0.2759E-01 0.1213E-03 0.7000E+01 0.3070E-01 0.1271E-03 0.7500E+01 0.3420E-01 0.1258E-03 0.8000E+01 0.3810E-01 0.1178E-03 0.8500E+01 0.4242E-01 0.1043E-03 0.9000E+01 0.4712E-01 0.8762E-04 0.9500E+01 0.5219E-01 0.7146E-04 0.1000E+02 0.5759E-01 0.6205E-04 0.1050E+02 0.6328E-01 0.6517E-04 0.1100E+02 0.6921E-01 0.7888E-04 0.1150E+02 0.7532E-01 0.9654E-04 0.1200E+02 0.8156E-01 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