Changeset eb69cce in sasmodels for sasmodels/models/ellipsoid.py
- Timestamp:
- Nov 30, 2015 7:18:41 PM (8 years ago)
- Branches:
- master, core_shell_microgels, costrafo411, magnetic_model, release_v0.94, release_v0.95, ticket-1257-vesicle-product, ticket_1156, ticket_1265_superball, ticket_822_more_unit_tests
- Children:
- d18f8a8
- Parents:
- d138d43
- File:
-
- 1 edited
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sasmodels/models/ellipsoid.py
r3e428ec reb69cce 12 12 .. math:: 13 13 14 P( Q,\alpha) = {\text{scale} \over V} F^2(Q) + \text{background}14 P(q,\alpha) = \frac{\text{scale}}{V} F^2(q) + \text{background} 15 15 16 16 where … … 18 18 .. math:: 19 19 20 F( Q) = {3 (\Delta rho)) V (\sin[Qr(R_p,R_e,\alpha)]21 - \cos[ Qr(R_p,R_e,\alpha)])22 \over [Qr(R_p,R_e,\alpha)]^3}20 F(q) = \frac{3 \Delta \rho V (\sin[qr(R_p,R_e,\alpha)] 21 - \cos[qr(R_p,R_e,\alpha)])} 22 {[qr(R_p,R_e,\alpha)]^3} 23 23 24 24 and … … 45 45 NB: The 2nd virial coefficient of the solid ellipsoid is calculated based 46 46 on the $R_p$ and $R_e$ values, and used as the effective radius for 47 $S( Q)$ when $P(Q) \cdot S(Q)$ is applied.47 $S(q)$ when $P(q) \cdot S(q)$ is applied. 48 48 49 49 .. _ellipsoid-1d: 50 50 51 .. figure:: img/ellipsoid_1d. JPG51 .. figure:: img/ellipsoid_1d.jpg 52 52 53 53 The output of the 1D scattering intensity function for randomly oriented … … 55 55 56 56 57 The $\theta$ and $\phi$ parameters are not used for the 1D output. Our 58 implementation of the scattering kernel and the 1D scattering intensity 59 use the c-library from NIST. 57 The $\theta$ and $\phi$ parameters are not used for the 1D output. 60 58 61 59 .. _ellipsoid-geometry: 62 60 63 .. figure:: img/ellipsoid_geometry. JPG61 .. figure:: img/ellipsoid_geometry.jpg 64 62 65 63 The angles for oriented ellipsoid. … … 100 98 *contrast* = 3e-6 |Ang^-2|, and *background* = 0.0 |cm^-1|. 101 99 102 The discrepancy above *q*= 0.3 |cm^-1| is due to the way the form factors100 The discrepancy above $q$ = 0.3 |cm^-1| is due to the way the form factors 103 101 are calculated in the c-library provided by NIST. A numerical integration 104 has to be performed to obtain $P( Q)$ for randomly oriented particles.102 has to be performed to obtain $P(q)$ for randomly oriented particles. 105 103 The NIST software performs that integration with a 76-point Gaussian 106 quadrature rule, which will become imprecise at high $ Q$ where the amplitude107 varies quickly as a function of $ Q$. The SasView result shown has been104 quadrature rule, which will become imprecise at high $q$ where the amplitude 105 varies quickly as a function of $q$. The SasView result shown has been 108 106 obtained by summing over 501 equidistant points. Our result was found 109 to be stable over the range of $ Q$ shown for a number of points higher107 to be stable over the range of $q$ shown for a number of points higher 110 108 than 500. 111 109 112 REFERENCE 110 References 111 ---------- 113 112 114 113 L A Feigin and D I Svergun. *Structure Analysis by Small-Angle X-Ray and Neutron Scattering*, Plenum,
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