Changeset cdd676e in sasmodels
- Timestamp:
- Jul 9, 2018 10:58:51 AM (6 years ago)
- Branches:
- master, core_shell_microgels, magnetic_model, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
- Children:
- 502c7b8
- Parents:
- 9f2216f
- Location:
- explore/beta
- Files:
-
- 4 edited
Legend:
- Unmodified
- Added
- Removed
-
explore/beta/data_files/testPolydisperseGaussianSphere.dat
r0076d6e rcdd676e 1 Filename:testPolydisperseGaussianSphere.dat**R0=20**PDI=0.1**contrast6e-006**volF=0.1 2 File format : Q, <FQ>, <FQ>^2, <FQ^2>, betaQ, SQ, SQ_Eff 3 1.000000e-003 2.070847e-001 1.242455e+001 1.352083e+001 9.189192e-001 4.556628e-001 4.997981e-001 4 2.000000e-003 2.070582e-001 1.242136e+001 1.351717e+001 9.189320e-001 4.557763e-001 4.998954e-001 5 3.000000e-003 2.070139e-001 1.241605e+001 1.351108e+001 9.189533e-001 4.559654e-001 5.000577e-001 6 4.000000e-003 2.069519e-001 1.240862e+001 1.350255e+001 9.189830e-001 4.562303e-001 5.002849e-001 7 5.000000e-003 2.068722e-001 1.239906e+001 1.349160e+001 9.190213e-001 4.565711e-001 5.005773e-001 8 6.000000e-003 2.067749e-001 1.238740e+001 1.347822e+001 9.190680e-001 4.569877e-001 5.009348e-001 9 7.000000e-003 2.066598e-001 1.237362e+001 1.346242e+001 9.191233e-001 4.574805e-001 5.013577e-001 10 8.000000e-003 2.065272e-001 1.235774e+001 1.344421e+001 9.191870e-001 4.580495e-001 5.018461e-001 11 9.000000e-003 2.063769e-001 1.233977e+001 1.342360e+001 9.192593e-001 4.586949e-001 5.024003e-001 12 1.000000e-002 2.062091e-001 1.231970e+001 1.340060e+001 9.193401e-001 4.594170e-001 5.030203e-001 13 1.100000e-002 2.060237e-001 1.229756e+001 1.337521e+001 9.194293e-001 4.602159e-001 5.037066e-001 14 1.200000e-002 2.058208e-001 1.227335e+001 1.334746e+001 9.195271e-001 4.610919e-001 5.044594e-001 15 1.300000e-002 2.056005e-001 1.224709e+001 1.331736e+001 9.196334e-001 4.620453e-001 5.052789e-001 16 1.400000e-002 2.053627e-001 1.221877e+001 1.328491e+001 9.197481e-001 4.630764e-001 5.061655e-001 17 1.500000e-002 2.051075e-001 1.218842e+001 1.325014e+001 9.198714e-001 4.641856e-001 5.071196e-001 18 1.600000e-002 2.048349e-001 1.215605e+001 1.321306e+001 9.200032e-001 4.653731e-001 5.081415e-001 19 1.700000e-002 2.045451e-001 1.212168e+001 1.317368e+001 9.201434e-001 4.666393e-001 5.092317e-001 20 1.800000e-002 2.042380e-001 1.208531e+001 1.313204e+001 9.202922e-001 4.679847e-001 5.103905e-001 21 1.900000e-002 2.039138e-001 1.204697e+001 1.308814e+001 9.204495e-001 4.694096e-001 5.116184e-001 22 2.000000e-002 2.035724e-001 1.200667e+001 1.304201e+001 9.206152e-001 4.709145e-001 5.129159e-001 23 2.100000e-002 2.032140e-001 1.196443e+001 1.299367e+001 9.207895e-001 4.724999e-001 5.142834e-001 24 2.200000e-002 2.028387e-001 1.192027e+001 1.294314e+001 9.209722e-001 4.741661e-001 5.157216e-001 25 2.300000e-002 2.024464e-001 1.187421e+001 1.289044e+001 9.211634e-001 4.759137e-001 5.172309e-001 26 2.400000e-002 2.020372e-001 1.182626e+001 1.283561e+001 9.213632e-001 4.777433e-001 5.188119e-001 27 2.500000e-002 2.016113e-001 1.177645e+001 1.277867e+001 9.215714e-001 4.796552e-001 5.204651e-001 28 2.600000e-002 2.011688e-001 1.172481e+001 1.271964e+001 9.217881e-001 4.816502e-001 5.221913e-001 29 2.700000e-002 2.007096e-001 1.167135e+001 1.265854e+001 9.220133e-001 4.837287e-001 5.239910e-001 30 2.800000e-002 2.002339e-001 1.161609e+001 1.259542e+001 9.222470e-001 4.858913e-001 5.258648e-001 31 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5.488347e-001 41 3.900000e-002 1.939397e-001 1.089728e+001 1.177604e+001 9.253769e-001 5.154095e-001 5.515712e-001 42 4.000000e-002 1.932737e-001 1.082257e+001 1.169107e+001 9.257122e-001 5.186307e-001 5.543906e-001 43 4.100000e-002 1.925927e-001 1.074643e+001 1.160451e+001 9.260560e-001 5.219445e-001 5.572938e-001 44 4.200000e-002 1.918966e-001 1.066889e+001 1.151640e+001 9.264081e-001 5.253513e-001 5.602816e-001 45 4.300000e-002 1.911857e-001 1.058999e+001 1.142679e+001 9.267687e-001 5.288520e-001 5.633548e-001 46 4.400000e-002 1.904601e-001 1.050975e+001 1.133570e+001 9.271378e-001 5.324471e-001 5.665141e-001 47 4.500000e-002 1.897199e-001 1.042822e+001 1.124318e+001 9.275152e-001 5.361373e-001 5.697603e-001 48 4.600000e-002 1.889652e-001 1.034542e+001 1.114927e+001 9.279010e-001 5.399231e-001 5.730942e-001 49 4.700000e-002 1.881962e-001 1.026139e+001 1.105402e+001 9.282953e-001 5.438052e-001 5.765166e-001 50 4.800000e-002 1.874130e-001 1.017617e+001 1.095746e+001 9.286979e-001 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explore/beta/data_files/testPolydisperseGaussianSphere2.dat
r0076d6e rcdd676e 1 Filename:testPolydisperseGaussianSphere2.dat**R0=20**PDI=0.15**contrast6e-006**volF=0.1 2 File format : Q, <FQ>, <FQ>^2, <FQ^2>, betaQ, SQ, SQ_Eff 3 1.000000e-003 2.146234e-001 1.287681e+001 1.537269e+001 8.376419e-001 4.556628e-001 5.440404e-001 4 2.000000e-003 2.145936e-001 1.287324e+001 1.536797e+001 8.376671e-001 4.557763e-001 5.441217e-001 5 3.000000e-003 2.145441e-001 1.286730e+001 1.536010e+001 8.377090e-001 4.559654e-001 5.442573e-001 6 4.000000e-003 2.144747e-001 1.285898e+001 1.534910e+001 8.377677e-001 4.562303e-001 5.444473e-001 7 5.000000e-003 2.143856e-001 1.284829e+001 1.533496e+001 8.378432e-001 4.565711e-001 5.446918e-001 8 6.000000e-003 2.142767e-001 1.283524e+001 1.531769e+001 8.379355e-001 4.569877e-001 5.449908e-001 9 7.000000e-003 2.141480e-001 1.281983e+001 1.529731e+001 8.380445e-001 4.574805e-001 5.453445e-001 10 8.000000e-003 2.139996e-001 1.280206e+001 1.527382e+001 8.381703e-001 4.580495e-001 5.457532e-001 11 9.000000e-003 2.138315e-001 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1.004532e-03 1.276641e-02 1.001232e+00 1.000016e+00 758 7.560000e-01 2.131285e-04 3.574412e-06 9.992146e-04 1.270803e-02 1.001355e+00 1.000017e+00 759 7.570000e-01 2.119848e-04 3.555516e-06 9.939324e-04 1.263882e-02 1.001475e+00 1.000019e+00 760 7.580000e-01 2.107562e-04 3.536745e-06 9.886850e-04 1.255905e-02 1.001592e+00 1.000020e+00 761 7.590000e-01 2.094449e-04 3.518098e-06 9.834722e-04 1.246900e-02 1.001706e+00 1.000021e+00 762 7.600000e-01 2.080531e-04 3.499573e-06 9.782937e-04 1.236896e-02 1.001817e+00 1.000022e+00 763 7.610000e-01 2.065829e-04 3.481171e-06 9.731493e-04 1.225924e-02 1.001924e+00 1.000024e+00 764 7.620000e-01 2.050365e-04 3.462888e-06 9.680386e-04 1.214014e-02 1.002028e+00 1.000025e+00 765 7.630000e-01 2.034161e-04 3.444726e-06 9.629613e-04 1.201202e-02 1.002127e+00 1.000026e+00 766 7.640000e-01 2.017239e-04 3.426683e-06 9.579174e-04 1.187519e-02 1.002223e+00 1.000026e+00 767 7.650000e-01 1.999620e-04 3.408757e-06 9.529064e-04 1.173002e-02 1.002315e+00 1.000027e+00 768 7.660000e-01 1.981326e-04 3.390949e-06 9.479282e-04 1.157686e-02 1.002403e+00 1.000028e+00 769 7.670000e-01 1.962379e-04 3.373257e-06 9.429824e-04 1.141607e-02 1.002486e+00 1.000028e+00 770 7.680000e-01 1.942801e-04 3.355680e-06 9.380689e-04 1.124802e-02 1.002565e+00 1.000029e+00 771 7.690000e-01 1.922612e-04 3.338218e-06 9.331874e-04 1.107309e-02 1.002640e+00 1.000029e+00 772 7.700000e-01 1.901835e-04 3.320869e-06 9.283375e-04 1.089166e-02 1.002710e+00 1.000030e+00 773 7.710000e-01 1.880491e-04 3.303633e-06 9.235192e-04 1.070411e-02 1.002775e+00 1.000030e+00 774 7.720000e-01 1.858601e-04 3.286509e-06 9.187322e-04 1.051084e-02 1.002835e+00 1.000030e+00 775 7.730000e-01 1.836186e-04 3.269495e-06 9.139761e-04 1.031223e-02 1.002891e+00 1.000030e+00 776 7.740000e-01 1.813268e-04 3.252592e-06 9.092508e-04 1.010867e-02 1.002941e+00 1.000030e+00 777 7.750000e-01 1.789866e-04 3.235798e-06 9.045561e-04 9.900562e-03 1.002987e+00 1.000030e+00 778 7.760000e-01 1.766003e-04 3.219112e-06 8.998916e-04 9.688285e-03 1.003027e+00 1.000029e+00 779 7.770000e-01 1.741699e-04 3.202534e-06 8.952573e-04 9.472235e-03 1.003063e+00 1.000029e+00 780 7.780000e-01 1.716974e-04 3.186062e-06 8.906527e-04 9.252798e-03 1.003093e+00 1.000029e+00 781 7.790000e-01 1.691848e-04 3.169697e-06 8.860778e-04 9.030362e-03 1.003118e+00 1.000028e+00 782 7.800000e-01 1.666343e-04 3.153436e-06 8.815322e-04 8.805310e-03 1.003139e+00 1.000028e+00 783 7.810000e-01 1.640477e-04 3.137280e-06 8.770158e-04 8.578019e-03 1.003154e+00 1.000027e+00 784 7.820000e-01 1.614271e-04 3.121227e-06 8.725284e-04 8.348866e-03 1.003164e+00 1.000026e+00 785 7.830000e-01 1.587744e-04 3.105277e-06 8.680696e-04 8.118218e-03 1.003168e+00 1.000026e+00 786 7.840000e-01 1.560916e-04 3.089429e-06 8.636394e-04 7.886440e-03 1.003168e+00 1.000025e+00 787 7.850000e-01 1.533807e-04 3.073682e-06 8.592374e-04 7.653890e-03 1.003162e+00 1.000024e+00 788 7.860000e-01 1.506434e-04 3.058036e-06 8.548634e-04 7.420918e-03 1.003152e+00 1.000023e+00 789 7.870000e-01 1.478817e-04 3.042489e-06 8.505174e-04 7.187867e-03 1.003137e+00 1.000023e+00 790 7.880000e-01 1.450975e-04 3.027041e-06 8.461989e-04 6.955074e-03 1.003116e+00 1.000022e+00 791 7.890000e-01 1.422926e-04 3.011691e-06 8.419079e-04 6.722865e-03 1.003091e+00 1.000021e+00 792 7.900000e-01 1.394688e-04 2.996438e-06 8.376441e-04 6.491560e-03 1.003061e+00 1.000020e+00 793 7.910000e-01 1.366280e-04 2.981282e-06 8.334073e-04 6.261467e-03 1.003026e+00 1.000019e+00 794 7.920000e-01 1.337718e-04 2.966222e-06 8.291973e-04 6.032888e-03 1.002986e+00 1.000018e+00 795 7.930000e-01 1.309020e-04 2.951257e-06 8.250139e-04 5.806114e-03 1.002942e+00 1.000017e+00 796 7.940000e-01 1.280204e-04 2.936387e-06 8.208569e-04 5.581423e-03 1.002893e+00 1.000016e+00 797 7.950000e-01 1.251286e-04 2.921610e-06 8.167260e-04 5.359088e-03 1.002840e+00 1.000015e+00 798 7.960000e-01 1.222283e-04 2.906926e-06 8.126212e-04 5.139367e-03 1.002783e+00 1.000014e+00 799 7.970000e-01 1.193212e-04 2.892335e-06 8.085422e-04 4.922510e-03 1.002721e+00 1.000013e+00 800 7.980000e-01 1.164088e-04 2.877835e-06 8.044888e-04 4.708753e-03 1.002656e+00 1.000013e+00 801 7.990000e-01 1.134928e-04 2.863426e-06 8.004608e-04 4.498324e-03 1.002586e+00 1.000012e+00 802 8.000000e-01 1.105747e-04 2.849107e-06 7.964580e-04 4.291437e-03 1.002513e+00 1.000011e+00 -
explore/beta/sasfit_compare.py
re262dd6 rcdd676e 446 446 Q = data[0] 447 447 F1 = data[1] 448 F2 = data[2] 448 449 P = data[3] 449 450 S = data[5] 450 451 Seff = data[6] 451 target = Theory(Q=Q, F1=F1, P=P, S=S, Seff=Seff)452 target = Theory(Q=Q, F1=F1, F2=F2, P=P, S=S, Seff=Seff) 452 453 actual = sphere_r(Q, norm='yun', **pars) 453 454 title = " ".join(("yun", "sphere", "10% dispersion 10% Vf")) … … 457 458 Q = data[0] 458 459 F1 = data[1] 460 F2 = data[2] 459 461 P = data[3] 460 462 S = data[5] 461 463 Seff = data[6] 462 target = Theory(Q=Q, F1=F1, P=P, S=S, Seff=Seff)464 target = Theory(Q=Q, F1=F1, F2=F2, P=P, S=S, Seff=Seff) 463 465 actual = sphere_r(Q, norm='yun', **pars) 464 466 title = " ".join(("yun", "sphere", "15% dispersion 10% Vf")) -
explore/beta/testPolyDiseperseSphricalBeta.m
r0076d6e rcdd676e 3 3 4 4 R0=20; %mean radius. unit: Angstroms 5 PDI=0.1 5; %unit: relative polydispersity5 PDI=0.1; %unit: relative polydispersity 6 6 volF=0.1; 7 7 contrast=6e-6; %contrast,angstrom^-1, scattering length density difference 8 8 9 Filename='testPolydisperseGaussianSphere 2.dat';9 Filename='testPolydisperseGaussianSphere.dat'; 10 10 11 11 Q=[0.001:0.001:0.8]; … … 57 57 NormIQN=IQN/IQN(1); 58 58 59 FileString=strcat('Filename:',Filename, '**R0=', num2str(R0),'**PDI=', num2str(PDI),...60 '**contrast',num2str(contrast), '**volF=',num2str(volF));61 Outputformat='File format : Q, <FQ>, <FQ>^2, <FQ^2>, betaQ, SQ, SQ_Eff';62 63 59 FQ2=beta.*IQ; 64 60 … … 77 73 78 74 fileID=fopen(Filename,'w'); 79 fprintf(fileID,'%s\n\r', FileString); 80 fprintf(fileID,'%s\n\r', Outputformat); 75 76 FileString=strcat('Filename:',Filename, '**R0=', num2str(R0),'**PDI=', num2str(PDI),... 77 '**contrast',num2str(contrast), '**volF=',num2str(volF)); 78 Outputformat='File format : Q, <FQ>, <FQ^2>, PQ, betaQ, SQ, SQ_Eff'; 79 fprintf(fileID,'%s\n', FileString); 80 fprintf(fileID,'%s\n', Outputformat); 81 81 for i=1:length(Q) 82 %file format : Q, <FQ>, <FQ >^2, <FQ^2>, betaQ, SQ, SQ_Eff83 fprintf(fileID,'%e\t%e\t%e\t%e\t%e\t%e\t%e\n \r',...84 Q(i),FQ(i), FQ2(i),IQ(i),beta(i),Sq(i),Sq_eff(i));82 %file format : Q, <FQ>, <FQ^2>, PQ, betaQ, SQ, SQ_Eff 83 fprintf(fileID,'%e\t%e\t%e\t%e\t%e\t%e\t%e\n',... 84 Q(i),FQ(i),IQN(i),IQ(i),beta(i),Sq(i),Sq_eff(i)); 85 85 end 86 86
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