#### G N O M ATSAS 4.0.1-1-20240920 (cb1cf77) #### Mon Aug 4 15:54:07 2025 #### Configuration #### System Type: arbitrary monodisperse (job = 0) Minimum characteristic size: 0.0000 Maximum characteristic size: 115.1900 rad56: 0.0000 Force 0.0 at r = rmin: yes Force 0.0 at r = rmax: yes Initial alpha: 0.0000 Initial random seed: 3621180985277174014 Points in real space: 182 Input 1: /Users/alanagudinas/Documents/Stanford/Mai Lab/SAXS/20250722_djmai_SECSAXS/analysis/S3_50ul_024/average/Ave_S3_50ul_024_0_375-379.dat First data point used: 33 Last data point used: 800 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 0.512 2.035 0.004 0.962 1.000 0.622 0.340 -------------------------------------------------------- Estimate 0.676 0.088 0.999 0.905 1.000 0.001 0.726 Angular range: 0.0230 to 0.4293 Reciprocal space Rg: 0.2837E+02 Reciprocal space I(0): 0.4073E+02 Real space range: 0.0000 to 115.1900 Real space Rg: 0.2861E+02 +- 0.1387E+00 Real space I(0): 0.4074E+02 +- 0.1010E+00 Highest ALPHA (theor): 0.5901E+05 Current ALPHA: 0.8568E+01 Total Estimate: 0.6446 (a REASONABLE solution) #### Experimental Data and Fit #### S J EXP ERROR J REG I REG 0.000000E+00 0.407372E+02 0.819727E-03 0.407296E+02 0.163945E-02 0.407072E+02 0.245918E-02 0.406700E+02 0.327891E-02 0.406179E+02 0.409864E-02 0.405510E+02 0.491836E-02 0.404696E+02 0.573809E-02 0.403736E+02 0.655782E-02 0.402633E+02 0.737754E-02 0.401388E+02 0.819727E-02 0.400003E+02 0.901700E-02 0.398481E+02 0.983673E-02 0.396823E+02 0.106565E-01 0.395033E+02 0.114762E-01 0.393112E+02 0.122959E-01 0.391065E+02 0.131156E-01 0.388894E+02 0.139354E-01 0.386603E+02 0.147551E-01 0.384194E+02 0.155748E-01 0.381672E+02 0.163945E-01 0.379040E+02 0.172143E-01 0.376302E+02 0.180340E-01 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0.556902E+00 0.460313E-01 0.507039E+00 0.507039E+00 0.397474E+00 0.567554E+00 0.461336E-01 0.505925E+00 0.505925E+00 0.398004E+00 0.530894E+00 0.453756E-01 0.504811E+00 0.504811E+00 0.398533E+00 0.525434E+00 0.458013E-01 0.503697E+00 0.503697E+00 0.399063E+00 0.496840E+00 0.454352E-01 0.502583E+00 0.502583E+00 0.399593E+00 0.518418E+00 0.454246E-01 0.501467E+00 0.501467E+00 0.400122E+00 0.549880E+00 0.457051E-01 0.500352E+00 0.500352E+00 0.400652E+00 0.487968E+00 0.448844E-01 0.499237E+00 0.499237E+00 0.401182E+00 0.473140E+00 0.450503E-01 0.498121E+00 0.498121E+00 0.401712E+00 0.563608E+00 0.455700E-01 0.497005E+00 0.497005E+00 0.402241E+00 0.546220E+00 0.445978E-01 0.495888E+00 0.495888E+00 0.402771E+00 0.513907E+00 0.458883E-01 0.494772E+00 0.494772E+00 0.403301E+00 0.521906E+00 0.444677E-01 0.493652E+00 0.493652E+00 0.403831E+00 0.484994E+00 0.456958E-01 0.492539E+00 0.492539E+00 0.404360E+00 0.519508E+00 0.456042E-01 0.491421E+00 0.491421E+00 0.404890E+00 0.539708E+00 0.446324E-01 0.490300E+00 0.490300E+00 0.405420E+00 0.543626E+00 0.447664E-01 0.489185E+00 0.489185E+00 0.405950E+00 0.489272E+00 0.448823E-01 0.488067E+00 0.488067E+00 0.406479E+00 0.500670E+00 0.458888E-01 0.486949E+00 0.486949E+00 0.407009E+00 0.442026E+00 0.444735E-01 0.485830E+00 0.485830E+00 0.407539E+00 0.474134E+00 0.450807E-01 0.484711E+00 0.484711E+00 0.408069E+00 0.441960E+00 0.450804E-01 0.483592E+00 0.483592E+00 0.408598E+00 0.522400E+00 0.454904E-01 0.482472E+00 0.482472E+00 0.409128E+00 0.375993E+00 0.454894E-01 0.481352E+00 0.481352E+00 0.409658E+00 0.489694E+00 0.453194E-01 0.480232E+00 0.480232E+00 0.410187E+00 0.372586E+00 0.458241E-01 0.479112E+00 0.479112E+00 0.410717E+00 0.457698E+00 0.448127E-01 0.477991E+00 0.477991E+00 0.411247E+00 0.477912E+00 0.444255E-01 0.476870E+00 0.476870E+00 0.411777E+00 0.544774E+00 0.443636E-01 0.475749E+00 0.475749E+00 0.412306E+00 0.445584E+00 0.456441E-01 0.474627E+00 0.474627E+00 0.412836E+00 0.476864E+00 0.450296E-01 0.473506E+00 0.473506E+00 0.413366E+00 0.501200E+00 0.447182E-01 0.472384E+00 0.472384E+00 0.413896E+00 0.539492E+00 0.449007E-01 0.471263E+00 0.471263E+00 0.414425E+00 0.429942E+00 0.447849E-01 0.470141E+00 0.470141E+00 0.414955E+00 0.497394E+00 0.453699E-01 0.469019E+00 0.469019E+00 0.415485E+00 0.479030E+00 0.459346E-01 0.467897E+00 0.467897E+00 0.416015E+00 0.411674E+00 0.445209E-01 0.466775E+00 0.466775E+00 0.416544E+00 0.428392E+00 0.457605E-01 0.465654E+00 0.465654E+00 0.417074E+00 0.470651E+00 0.451744E-01 0.464532E+00 0.464532E+00 0.417604E+00 0.556676E+00 0.439978E-01 0.463410E+00 0.463410E+00 0.418133E+00 0.469549E+00 0.448630E-01 0.462289E+00 0.462289E+00 0.418663E+00 0.411344E+00 0.450574E-01 0.461168E+00 0.461168E+00 0.419193E+00 0.520984E+00 0.450740E-01 0.460050E+00 0.460050E+00 0.419723E+00 0.427696E+00 0.454808E-01 0.458927E+00 0.458927E+00 0.420252E+00 0.508028E+00 0.456887E-01 0.457817E+00 0.457817E+00 0.420782E+00 0.533232E+00 0.451706E-01 0.456690E+00 0.456690E+00 0.421312E+00 0.498484E+00 0.445025E-01 0.455572E+00 0.455572E+00 0.421842E+00 0.446585E+00 0.444923E-01 0.454455E+00 0.454455E+00 0.422371E+00 0.477537E+00 0.444906E-01 0.453339E+00 0.453339E+00 0.422901E+00 0.387730E+00 0.450750E-01 0.452223E+00 0.452223E+00 0.423431E+00 0.401897E+00 0.458852E-01 0.451109E+00 0.451109E+00 0.423961E+00 0.452543E+00 0.446122E-01 0.449996E+00 0.449996E+00 0.424490E+00 0.485181E+00 0.446876E-01 0.448884E+00 0.448884E+00 0.425020E+00 0.498746E+00 0.454210E-01 0.447774E+00 0.447774E+00 0.425550E+00 0.389058E+00 0.455550E-01 0.446664E+00 0.446664E+00 0.426079E+00 0.456106E+00 0.451478E-01 0.445557E+00 0.445557E+00 0.426609E+00 0.439025E+00 0.451158E-01 0.444451E+00 0.444451E+00 0.427139E+00 0.509341E+00 0.452030E-01 0.443349E+00 0.443349E+00 0.427669E+00 0.468560E+00 0.446512E-01 0.442246E+00 0.442246E+00 0.428198E+00 0.426760E+00 0.457136E-01 0.441145E+00 0.441145E+00 0.428728E+00 0.454933E+00 0.455605E-01 0.440047E+00 0.440047E+00 0.429258E+00 0.435768E+00 0.463324E-01 0.438951E+00 0.438951E+00 #### Real Space Data #### Distance distribution function of particle R P(R) ERROR 0.0000E+00 0.0000E+00 0.0000E+00 0.6364E+00 0.3949E-02 0.3855E-04 0.1273E+01 0.7560E-02 0.6317E-04 0.1909E+01 0.1085E-01 0.7484E-04 0.2546E+01 0.1385E-01 0.7519E-04 0.3182E+01 0.1659E-01 0.6654E-04 0.3818E+01 0.1911E-01 0.5232E-04 0.4455E+01 0.2148E-01 0.3886E-04 0.5091E+01 0.2373E-01 0.3799E-04 0.5728E+01 0.2594E-01 0.5287E-04 0.6364E+01 0.2813E-01 0.7307E-04 0.7000E+01 0.3038E-01 0.9204E-04 0.7637E+01 0.3271E-01 0.1068E-03 0.8273E+01 0.3517E-01 0.1159E-03 0.8910E+01 0.3777E-01 0.1188E-03 0.9546E+01 0.4053E-01 0.1156E-03 0.1018E+02 0.4346E-01 0.1074E-03 0.1082E+02 0.4654E-01 0.9630E-04 0.1146E+02 0.4976E-01 0.8553E-04 0.1209E+02 0.5308E-01 0.7954E-04 0.1273E+02 0.5646E-01 0.8193E-04 0.1336E+02 0.5987E-01 0.9229E-04 0.1400E+02 0.6324E-01 0.1069E-03 0.1464E+02 0.6652E-01 0.1217E-03 0.1527E+02 0.6966E-01 0.1342E-03 0.1591E+02 0.7260E-01 0.1426E-03 0.1655E+02 0.7529E-01 0.1462E-03 0.1718E+02 0.7768E-01 0.1449E-03 0.1782E+02 0.7973E-01 0.1395E-03 0.1846E+02 0.8141E-01 0.1314E-03 0.1909E+02 0.8271E-01 0.1226E-03 0.1973E+02 0.8360E-01 0.1157E-03 0.2037E+02 0.8410E-01 0.1129E-03 0.2100E+02 0.8419E-01 0.1154E-03 0.2164E+02 0.8391E-01 0.1222E-03 0.2227E+02 0.8327E-01 0.1315E-03 0.2291E+02 0.8231E-01 0.1410E-03 0.2355E+02 0.8107E-01 0.1490E-03 0.2418E+02 0.7958E-01 0.1544E-03 0.2482E+02 0.7789E-01 0.1570E-03 0.2546E+02 0.7606E-01 0.1572E-03 0.2609E+02 0.7411E-01 0.1556E-03 0.2673E+02 0.7210E-01 0.1536E-03 0.2737E+02 0.7006E-01 0.1523E-03 0.2800E+02 0.6803E-01 0.1525E-03 0.2864E+02 0.6604E-01 0.1548E-03 0.2927E+02 0.6411E-01 0.1587E-03 0.2991E+02 0.6226E-01 0.1634E-03 0.3055E+02 0.6051E-01 0.1678E-03 0.3118E+02 0.5886E-01 0.1710E-03 0.3182E+02 0.5732E-01 0.1725E-03 0.3246E+02 0.5589E-01 0.1719E-03 0.3309E+02 0.5456E-01 0.1697E-03 0.3373E+02 0.5332E-01 0.1664E-03 0.3437E+02 0.5218E-01 0.1630E-03 0.3500E+02 0.5110E-01 0.1606E-03 0.3564E+02 0.5010E-01 0.1600E-03 0.3628E+02 0.4914E-01 0.1616E-03 0.3691E+02 0.4823E-01 0.1653E-03 0.3755E+02 0.4735E-01 0.1704E-03 0.3818E+02 0.4650E-01 0.1760E-03 0.3882E+02 0.4566E-01 0.1814E-03 0.3946E+02 0.4483E-01 0.1859E-03 0.4009E+02 0.4401E-01 0.1891E-03 0.4073E+02 0.4320E-01 0.1910E-03 0.4137E+02 0.4239E-01 0.1918E-03 0.4200E+02 0.4158E-01 0.1918E-03 0.4264E+02 0.4077E-01 0.1914E-03 0.4328E+02 0.3997E-01 0.1910E-03 0.4391E+02 0.3917E-01 0.1909E-03 0.4455E+02 0.3837E-01 0.1912E-03 0.4519E+02 0.3758E-01 0.1920E-03 0.4582E+02 0.3680E-01 0.1930E-03 0.4646E+02 0.3602E-01 0.1944E-03 0.4709E+02 0.3526E-01 0.1960E-03 0.4773E+02 0.3450E-01 0.1980E-03 0.4837E+02 0.3376E-01 0.2004E-03 0.4900E+02 0.3302E-01 0.2033E-03 0.4964E+02 0.3230E-01 0.2066E-03 0.5028E+02 0.3158E-01 0.2103E-03 0.5091E+02 0.3088E-01 0.2140E-03 0.5155E+02 0.3019E-01 0.2177E-03 0.5219E+02 0.2951E-01 0.2208E-03 0.5282E+02 0.2885E-01 0.2234E-03 0.5346E+02 0.2819E-01 0.2253E-03 0.5409E+02 0.2755E-01 0.2268E-03 0.5473E+02 0.2693E-01 0.2282E-03 0.5537E+02 0.2632E-01 0.2300E-03 0.5600E+02 0.2572E-01 0.2326E-03 0.5664E+02 0.2514E-01 0.2363E-03 0.5728E+02 0.2458E-01 0.2412E-03 0.5791E+02 0.2402E-01 0.2471E-03 0.5855E+02 0.2348E-01 0.2534E-03 0.5919E+02 0.2295E-01 0.2592E-03 0.5982E+02 0.2243E-01 0.2640E-03 0.6046E+02 0.2192E-01 0.2670E-03 0.6110E+02 0.2141E-01 0.2678E-03 0.6173E+02 0.2090E-01 0.2662E-03 0.6237E+02 0.2040E-01 0.2625E-03 0.6300E+02 0.1990E-01 0.2572E-03 0.6364E+02 0.1940E-01 0.2512E-03 0.6428E+02 0.1890E-01 0.2455E-03 0.6491E+02 0.1839E-01 0.2411E-03 0.6555E+02 0.1788E-01 0.2390E-03 0.6619E+02 0.1737E-01 0.2396E-03 0.6682E+02 0.1687E-01 0.2427E-03 0.6746E+02 0.1636E-01 0.2479E-03 0.6810E+02 0.1586E-01 0.2543E-03 0.6873E+02 0.1536E-01 0.2610E-03 0.6937E+02 0.1487E-01 0.2671E-03 0.7000E+02 0.1439E-01 0.2721E-03 0.7064E+02 0.1393E-01 0.2757E-03 0.7128E+02 0.1348E-01 0.2779E-03 0.7191E+02 0.1305E-01 0.2790E-03 0.7255E+02 0.1264E-01 0.2792E-03 0.7319E+02 0.1225E-01 0.2790E-03 0.7382E+02 0.1188E-01 0.2789E-03 0.7446E+02 0.1153E-01 0.2792E-03 0.7510E+02 0.1120E-01 0.2800E-03 0.7573E+02 0.1089E-01 0.2813E-03 0.7637E+02 0.1060E-01 0.2831E-03 0.7701E+02 0.1032E-01 0.2852E-03 0.7764E+02 0.1005E-01 0.2874E-03 0.7828E+02 0.9796E-02 0.2896E-03 0.7891E+02 0.9546E-02 0.2916E-03 0.7955E+02 0.9300E-02 0.2936E-03 0.8019E+02 0.9056E-02 0.2954E-03 0.8082E+02 0.8812E-02 0.2970E-03 0.8146E+02 0.8564E-02 0.2985E-03 0.8210E+02 0.8313E-02 0.2998E-03 0.8273E+02 0.8057E-02 0.3007E-03 0.8337E+02 0.7795E-02 0.3011E-03 0.8401E+02 0.7528E-02 0.3009E-03 0.8464E+02 0.7257E-02 0.3000E-03 0.8528E+02 0.6981E-02 0.2985E-03 0.8592E+02 0.6703E-02 0.2964E-03 0.8655E+02 0.6424E-02 0.2941E-03 0.8719E+02 0.6145E-02 0.2918E-03 0.8782E+02 0.5870E-02 0.2899E-03 0.8846E+02 0.5599E-02 0.2889E-03 0.8910E+02 0.5335E-02 0.2891E-03 0.8973E+02 0.5080E-02 0.2908E-03 0.9037E+02 0.4834E-02 0.2940E-03 0.9101E+02 0.4600E-02 0.2988E-03 0.9164E+02 0.4377E-02 0.3049E-03 0.9228E+02 0.4168E-02 0.3121E-03 0.9292E+02 0.3971E-02 0.3198E-03 0.9355E+02 0.3788E-02 0.3277E-03 0.9419E+02 0.3618E-02 0.3354E-03 0.9482E+02 0.3460E-02 0.3424E-03 0.9546E+02 0.3314E-02 0.3485E-03 0.9610E+02 0.3178E-02 0.3535E-03 0.9673E+02 0.3053E-02 0.3572E-03 0.9737E+02 0.2936E-02 0.3597E-03 0.9801E+02 0.2826E-02 0.3610E-03 0.9864E+02 0.2723E-02 0.3612E-03 0.9928E+02 0.2624E-02 0.3607E-03 0.9992E+02 0.2530E-02 0.3596E-03 0.1006E+03 0.2440E-02 0.3581E-03 0.1012E+03 0.2351E-02 0.3566E-03 0.1018E+03 0.2264E-02 0.3552E-03 0.1025E+03 0.2178E-02 0.3540E-03 0.1031E+03 0.2093E-02 0.3531E-03 0.1037E+03 0.2008E-02 0.3525E-03 0.1044E+03 0.1922E-02 0.3522E-03 0.1050E+03 0.1836E-02 0.3524E-03 0.1056E+03 0.1749E-02 0.3529E-03 0.1063E+03 0.1660E-02 0.3537E-03 0.1069E+03 0.1570E-02 0.3547E-03 0.1076E+03 0.1479E-02 0.3555E-03 0.1082E+03 0.1385E-02 0.3557E-03 0.1088E+03 0.1288E-02 0.3545E-03 0.1095E+03 0.1188E-02 0.3511E-03 0.1101E+03 0.1084E-02 0.3443E-03 0.1107E+03 0.9752E-03 0.3327E-03 0.1114E+03 0.8610E-03 0.3150E-03 0.1120E+03 0.7404E-03 0.2896E-03 0.1126E+03 0.6122E-03 0.2552E-03 0.1133E+03 0.4754E-03 0.2102E-03 0.1139E+03 0.3286E-03 0.1535E-03 0.1146E+03 0.1706E-03 0.8374E-04 0.1152E+03 0.0000E+00 0.0000E+00