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Timestamp:
Apr 7, 2017 1:11:41 AM (7 years ago)
Author:
Paul Kienzle <pkienzle@…>
Branches:
master, ESS_GUI, ESS_GUI_Docs, ESS_GUI_batch_fitting, ESS_GUI_bumps_abstraction, ESS_GUI_iss1116, ESS_GUI_iss879, ESS_GUI_iss959, ESS_GUI_opencl, ESS_GUI_ordering, ESS_GUI_sync_sascalc, magnetic_scatt, release-4.2.2, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload
Children:
fca1f50
Parents:
727c05f
Message:

docs: use latex in equations rather than unicode + rst markup

File:
1 edited

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  • src/sas/sasgui/perspectives/fitting/media/sm_help.rst

    r6aad2e8 r5ed76f8  
    2020================== 
    2121 
    22 Sometimes the instrumental geometry used to acquire the experimental data has  
    23 an impact on the clarity of features in the reduced scattering curve. For  
    24 example, peaks or fringes might be slightly broadened. This is known as  
    25 *Q resolution smearing*. To compensate for this effect one can either try and  
    26 remove the resolution contribution - a process called *desmearing* - or add the  
    27 resolution contribution into a model calculation/simulation (which by definition  
    28 will be exact) to make it more representative of what has been measured  
     22Sometimes the instrumental geometry used to acquire the experimental data has 
     23an impact on the clarity of features in the reduced scattering curve. For 
     24example, peaks or fringes might be slightly broadened. This is known as 
     25*Q resolution smearing*. To compensate for this effect one can either try and 
     26remove the resolution contribution - a process called *desmearing* - or add the 
     27resolution contribution into a model calculation/simulation (which by definition 
     28will be exact) to make it more representative of what has been measured 
    2929experimentally - a process called *smearing*. SasView will do the latter. 
    3030 
    31 Both smearing and desmearing rely on functions to describe the resolution  
     31Both smearing and desmearing rely on functions to describe the resolution 
    3232effect. SasView provides three smearing algorithms: 
    3333 
     
    3636*  *2D Smearing* 
    3737 
    38 SasView also has an option to use Q resolution data (estimated at the time of  
     38SasView also has an option to use $Q$ resolution data (estimated at the time of 
    3939data reduction) supplied in a reduced data file: the *Use dQ data* radio button. 
    4040 
     
    4343dQ Smearing 
    4444----------- 
    45   
    46 If this option is checked, SasView will assume that the supplied dQ values  
     45 
     46If this option is checked, SasView will assume that the supplied $dQ$ values 
    4747represent the standard deviations of Gaussian functions. 
    4848 
     
    6565**[Equation 1]** 
    6666 
    67 The functions |inlineimage004| and |inlineimage005| 
    68 refer to the slit width weighting function and the slit height weighting  
    69 determined at the given *q* point, respectively. It is assumed that the weighting 
     67The functions $W_v(v)$ and $W_u(u)$ 
     68refer to the slit width weighting function and the slit height weighting 
     69determined at the given $q$ point, respectively. It is assumed that the weighting 
    7070function is described by a rectangular function, such that 
    7171 
     
    8080**[Equation 3]** 
    8181 
    82 so that |inlineimage008| |inlineimage009| for |inlineimage010| and *u*\ . 
    83  
    84 Here |inlineimage011| and |inlineimage012| stand for 
    85 the slit height (FWHM/2) and the slit width (FWHM/2) in *q* space. 
     82so that $\Delta q_\alpha = \int_0^\infty d\alpha W_\alpha(\alpha)$ 
     83for $\alpha = v$ and $u$. 
     84 
     85Here $\Delta q_u$ and $\Delta q_v$ stand for 
     86the slit height (FWHM/2) and the slit width (FWHM/2) in $q$ space. 
    8687 
    8788This simplifies the integral in Equation 1 to 
     
    9192**[Equation 4]** 
    9293 
    93 which may be solved numerically, depending on the nature of |inlineimage011| and |inlineimage012| . 
     94which may be solved numerically, depending on the nature of 
     95$\Delta q_u$ and $\Delta q_v$. 
    9496 
    9597Solution 1 
    9698^^^^^^^^^^ 
    9799 
    98 **For** |inlineimage012| **= 0 and** |inlineimage011| **= constant.** 
     100**For $\Delta q_v= 0$ and $\Delta q_u = \text{constant}$.** 
    99101 
    100102.. image:: sm_image016.png 
    101103 
    102 For discrete *q* values, at the *q* values of the data points and at the *q* 
    103 values extended up to *q*\ :sub:`N`\ = *q*\ :sub:`i` + |inlineimage011| the smeared 
     104For discrete $q$ values, at the $q$ values of the data points and at the $q$ 
     105values extended up to $q_N = q_i + \Delta q_u$ the smeared 
    104106intensity can be approximately calculated as 
    105107 
     
    108110**[Equation 5]** 
    109111 
    110 where |inlineimage018| = 0 for *I*\ :sub:`s` when *j* < *i* or *j* > *N-1*. 
     112where |inlineimage018| = 0 for $I_s$ when $j < i$ or $j > N-1$. 
    111113 
    112114Solution 2 
    113115^^^^^^^^^^ 
    114116 
    115 **For** |inlineimage012| **= constant and** |inlineimage011| **= 0.** 
     117**For $\Delta q_v = \text{constant}$ and $\Delta q_u= 0$.** 
    116118 
    117119Similar to Case 1 
    118120 
    119 |inlineimage019| for *q*\ :sub:`p` = *q*\ :sub:`i` - |inlineimage012| and *q*\ :sub:`N` = *q*\ :sub:`i` + |inlineimage012| 
     121|inlineimage019| for $q_p = q_i - \Delta q_v$ and $q_N = q_i + \Delta q_v$ 
    120122 
    121123**[Equation 6]** 
    122124 
    123 where |inlineimage018| = 0 for *I*\ :sub:`s` when *j* < *p* or *j* > *N-1*. 
     125where |inlineimage018| = 0 for $I_s$ when $j < p$ or $j > N-1$. 
    124126 
    125127Solution 3 
    126128^^^^^^^^^^ 
    127129 
    128 **For** |inlineimage011| **= constant and** |inlineimage011| **= constant.** 
     130**For $\Delta q_u = \text{constant}$ and $\Delta q_v = \text{constant}$.** 
    129131 
    130132In this case, the best way is to perform the integration of Equation 1 
     
    142144**[Equation 7]** 
    143145 
    144 for *q*\ :sub:`p` = *q*\ :sub:`i` - |inlineimage012| and *q*\ :sub:`N` = *q*\ :sub:`i` + |inlineimage012| 
    145  
    146 where |inlineimage018| = 0 for *I*\ :sub:`s` when *j* < *p* or *j* > *N-1*. 
     146for *q_p = q_i - \Delta q_v$ and $q_N = q_i + \Delta q_v$ 
     147where |inlineimage018| = 0 for *I_s$ when $j < p$ or $j > N-1$. 
    147148 
    148149.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 
     
    175176**[Equation 9]** 
    176177 
    177 In Equation 9, *x*\ :sub:`0` = *q* cos(|theta|), *y*\ :sub:`0` = *q* sin(|theta|), and 
    178 the primed axes, are all in the coordinate rotated by an angle |theta| about 
    179 the z-axis (see the figure below) so that *x'*\ :sub:`0` = *x*\ :sub:`0` cos(|theta|) + 
    180 *y*\ :sub:`0` sin(|theta|) and *y'*\ :sub:`0` = -*x*\ :sub:`0` sin(|theta|) + 
    181 *y*\ :sub:`0` cos(|theta|). Note that the rotation angle is zero for a x-y symmetric 
    182 elliptical Gaussian distribution. The *A* is a normalization factor. 
     178In Equation 9, $x_0 = q \cos(\theta)$, $y_0 = q \sin(\theta)$, and 
     179the primed axes, are all in the coordinate rotated by an angle $\theta$ about 
     180the z-axis (see the figure below) so that 
     181$x'_0 = x_0 \cos(\theta) + y_0 \sin(\theta)$ and 
     182$y'_0 = -x_0 \sin(\theta) + y_0 \cos(\theta)$. 
     183Note that the rotation angle is zero for a $xy$ symmetric 
     184elliptical Gaussian distribution. The $A$ is a normalization factor. 
    183185 
    184186.. image:: sm_image023.png 
    185187 
    186 Now we consider a numerical integration where each of the bins in |theta| and *R* are 
    187 *evenly* (this is to simplify the equation below) distributed by |bigdelta|\ |theta| 
    188 and |bigdelta|\ R, respectively, and it is further assumed that *I(x',y')* is constant 
     188Now we consider a numerical integration where each of the bins in $\theta$ and $R$ are 
     189*evenly* (this is to simplify the equation below) distributed by $\Delta \theta$ 
     190and $\Delta R$, respectively, and it is further assumed that $I(x',y')$ is constant 
    189191within the bins. Then 
    190192 
     
    194196 
    195197Since the weighting factor on each of the bins is known, it is convenient to 
    196 transform *x'-y'* back to *x-y* coordinates (by rotating it by -|theta| around the 
    197 *z* axis). 
     198transform $x'y'$ back to $xy$ coordinates (by rotating it by $-\theta$ around the 
     199$z$ axis). 
    198200 
    199201Then, for a polar symmetric smear 
     
    207209.. image:: sm_image026.png 
    208210 
    209 while for a *x-y* symmetric smear 
     211while for a $xy$ symmetric smear 
    210212 
    211213.. image:: sm_image027.png 
     
    225227------------------------- 
    226228 
    227 In all the cases above, the weighting matrix *W* is calculated on the first call 
    228 to a smearing function, and includes ~60 *q* values (finely and evenly binned) 
    229 below (>0) and above the *q* range of data in order to smear all data points for 
    230 a given model and slit/pinhole size. The *Norm*  factor is found numerically with the 
    231 weighting matrix and applied on the computation of *I*\ :sub:`s`. 
     229In all the cases above, the weighting matrix $W$ is calculated on the first call 
     230to a smearing function, and includes ~60 $q$ values (finely and evenly binned) 
     231below (>0) and above the $q$ range of data in order to smear all data points for 
     232a given model and slit/pinhole size. The $Norm$  factor is found numerically with the 
     233weighting matrix and applied on the computation of $I_s$. 
    232234 
    233235.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 
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