Changeset 0721c3d in sasview for src/sas/perspectives/invariant


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Timestamp:
Feb 19, 2015 4:23:38 PM (10 years ago)
Author:
smk78
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, costrafo411, magnetic_scatt, release-4.1.1, release-4.1.2, release-4.2.2, release_4.0.1, ticket-1009, ticket-1094-headless, ticket-1242-2d-resolution, ticket-1243, ticket-1249, ticket885, unittest-saveload
Children:
a8d882a
Parents:
8a22b5b
Message:

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  • src/sas/perspectives/invariant/media/invariant_help.rst

    rec392464 r0721c3d  
    33.. This is a port of the original SasView html help file to ReSTructured text 
    44.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015. 
     5 
     6.. |Ang| unicode:: U+212B 
     7.. |pi| unicode:: U+03C0 
     8.. |bigdelta| unicode:: U+0394 
     9.. |rho| unicode:: U+03C1 
     10.. |phi| unicode:: U+03C6 
    511 
    612Invariant Calculation Perspective 
     
    915Scattering_Invariant_ 
    1016 
     17How_to_Use_ 
     18 
    1119Volume_Fraction_ 
    1220 
    1321Specific_Surface_Area_ 
    1422 
    15 Definitions_ 
    16  
    1723Reference_ 
    18  
    19 How_to_Use_ 
    2024 
    2125.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 
     
    2327.. _Scattering_Invariant: 
    2428 
    25 Scattering Invariant 
    26 -------------------- 
     29Scattering (Porod) Invariant 
     30---------------------------- 
    2731 
    28 The scattering invariant (Q*) is a model-independent quantity that can be  
    29 easily calculated from scattering data. 
     32The scattering, or Porod, invariant (Q*\) is a model-independent quantity that  
     33can be easily calculated from scattering data. 
    3034 
    31 For two phase systems, the scattering invariant, Q*, is defined as the  
    32 integral of the square of the wave transfer (q) multiplied by the scattering  
    33 cross section over the full range of q. 
    34  
    35 Q* is given by the following equation 
     35For two phase systems, the scattering invariant is defined as the integral of  
     36the square of the wave transfer (Q) multiplied by the scattering cross section  
     37over the full range of Q from zero to infinity, that is 
    3638 
    3739.. image:: image001.gif 
    3840 
    39 This model independent quantity (Q*) is calculated from the scattering data  
    40 that can be used to determine the volume fraction and the specific area of the  
    41 sample under consideration. 
     41where *g = Q* for pinhole geometry (SAS) and *g = Qv* (the slit height) for   
     42slit geometry (USAS). 
    4243 
    43 These quantities are useful in their own right and can be used in further  
    44 analysis. With this scattering invariant module users will also be able to  
    45 determine the consistency of those properties between data. There is no real  
    46 data defined from zero to infinity, there usually have limited range. 
     44The worth of Q*\  is that it can be used to determine the volume fraction and  
     45the specific area of a sample. Whilst these quantities are useful in their own  
     46right they can also be used in further analysis. 
    4747 
    48 Q* is not really computed from zero to infinity. Our maximum q range is  
    49 1e-5 ~ 10 (1/Angstrom). The lower and/or higher q range than data given can be  
    50 extrapolated by fitting some data nearby. 
     48The difficulty with using Q*\  arises from the fact that experimental data is  
     49never measured over the range 0 =< *Q* =< infinity. At best, combining USAS and  
     50WAS data might cover the range 1e-5 =< *Q* =< 10 1/\ |Ang| . Thus it is usually  
     51necessary to extrapolate the experimental data to low and high *Q*. For this 
    5152 
    52 The scattering invariant is computed as follows 
     53High-*Q* region (>= *Qmax* in data) 
    5354 
    54 *I(q)* = *I(q)*  w/o background : If the data includes a background, user sets  
    55 the value to subtract the background for the Q* computation. 
     55*  The power law function *C*/*Q*\ :sup:`4` is used where the constant  
     56   *C* (= 2.\ |pi|\ .(\ |bigdelta|\ |rho|\ ).\ *Sv*\ ) is to be found by fitting part of data  
     57   within the range *Q*\ :sub:`N-m` to *Q*\ :sub:`N` (where m < N). 
    5658 
    57 Reset *I(q)* = *I(q)* scaling factor* , delta *I(q) =*  delta *I(q)*scaling  
    58 factor* : If non-zero scaling factor is given, it will be considered. 
     59Low-*Q* region (<= *Qmin* in data) 
    5960 
    60 Invariant 
     61*  The Guinier function *I0.exp(-Rg*\ :sup:`2`\ *Q*\ :sup:`2`\ */3)* where *I0*  
     62   and *Rg* are obtained by fitting as for the high-*Q* region above.  
     63   Alternatively a power law can be used. 
    6164 
    62 .. image:: image001.gif 
     65.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 
    6366 
    64 where *g =q*  for the pinhole geometry and *g =qv*  (the slit height) for the  
    65 slit geometry which can be given in data or as a value. 
     67.. _How_to_Use: 
    6668 
    67 Higher q-region (\>= qmax in data) 
     69How to Use 
     70---------- 
    6871 
    69 Power law (w/o background term) function = C/q4will be used 
     721) Select *Invariant* from the *Analysis* menu on the SasView toolbar. 
    7073 
    71 where the constant C(=2pi(delta(rho))Sv) is to be found by fitting part of  
    72 data with the range of qN-mto qN(m\<N). 
     742) Load some data with the *Data Explorer*. 
    7375 
    74 Lower q-region (\<= qmin in data): 
     763) Select a dataset and use the *Send To* button on the *Data Explorer* to load  
     77   the dataset into the *Invariant* perspective. 
    7578 
    76 Guinier function = *I0exp(-Rg2q2/3)*  where I0and Rgare obtained by fitting, 
     794) Use the *Customised Input* boxes on the *Invariant* perspective to subtract  
     80   any background, specify the contrast (i.e. difference in SLDs - this must be  
     81   specified for the eventual value of Q*\  to be on an absolute scale), or to  
     82   rescale the data. 
    7783 
    78 similarly to the high q region above. 
     845) Adjust the extrapolation range as necessary. In most cases the default  
     85   values will suffice. 
    7986 
    80 Power law can also be used. 
     876) Click the *Compute* button. 
     88 
     897) To include a lower and/or higher Q range, check the relevant *Enable  
     90   Extrapolate* check boxes. 
     91    
     92   If power law extrapolations are chosen, the exponent can be either held  
     93   fixed or fitted. The number of points, Npts, to be used for the basis of the  
     94   extrapolation can also be specified. 
     95 
     968) If the value of Q*\  calculated with the extrapolated regions is invalid, a  
     97   red warning will appear at the top of the *Invariant* perspective panel. 
     98 
     99   The details of the calculation are available by clicking the *Details*  
     100   button in the middle of the panel. 
     101 
     102.. image:: image005.gif 
    81103 
    82104.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 
     
    87109--------------- 
    88110 
     111The volume fraction |phi| is related to Q*\  by 
     112 
    89113.. image:: image002.gif 
    90114 
    91 where delta(rho) is the SLD contrast of which value is given by users. 
     115where |bigdelta|\ |rho| is the SLD contrast. 
    92116 
    93117.. image:: image003.gif 
    94  
    95 Thus 
    96  
    97 where 0 =\< *A*  =\<1/4 in order for these values to be physically valid. 
    98118 
    99119.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 
     
    104124--------------------- 
    105125 
     126The specific surface area *Sv* is related to Q*\  by 
     127 
    106128.. image:: image004.gif 
    107129 
    108 where *A*  and *Q**  are obtained from previous sections, and the Porod  
    109 constant *Cp*  is given by users. 
    110  
    111 .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 
    112  
    113 .. _Definitions: 
    114  
    115 Definitions 
    116 ----------- 
    117  
    118 Q: the magnitude of neutron (or X-ray) momentum transfer vector. 
    119  
    120 I(Q): the scattering intensity as a function of the momentum transfer Q. 
    121  
    122 Invariant total is the sum of the invariant calculated from datas q range and 
    123 the invariant resulting from extrapolation at low q range and at high q range  
    124 if considered. 
     130where *Cp* is the Porod constant. 
    125131 
    126132.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 
     
    131137---------- 
    132138 
    133 Chapter 2 in O. Glatter and O. Kratky, "Small Angle X-Ray Scattering", Academic  
    134 Press, New York, 1982 
     139O. Glatter and O. Kratky 
     140Chapter 2 in *Small Angle X-Ray Scattering* 
     141Academic Press, New York, 1982 
    135142 
    136143http://physchem.kfunigraz.ac.at/sm/ 
    137144 
    138 .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 
     145.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ 
    139146 
    140 .. _How_to_Use: 
    141  
    142 How to Use 
    143 ---------- 
    144  
    145 1. Loading data to the panel: Open the data file from File in the menu bar.  
    146 Select loaded data from a plot panel by highlighting that it until its color  
    147 turns yellow. Then right click on that the data and selects the option Compute  
    148 Invariant. The application automatically computes the invariant value if the  
    149 data loaded is valid. 
    150  
    151 2. To subtract a background or/and to rescale the data, type the values in  
    152 Customized Input box. 
    153  
    154 3. If you want to calculate the volume fraction and the specific surface  
    155 area, type the optional inputs in the customized input box, and then press  
    156 'Compute' button. 
    157  
    158 4. The invariant can also be calculated including the outside of the data Q  
    159 range:  To include the lower Q and/or the higher Q range, check in the enable  
    160 extrapolation check box in 'Extrapolation' box. If the power low is chosen, 
    161 the power (exponent) can be either held or fitted by checking the  
    162 corresponding radio button.  The Npts that is being used for the extrapolation  
    163 can be specified. 
    164  
    165 5. If the invariant calculated from the extrapolated region is too large, it  
    166 will be warn in red at the top of the panel, which means that your data is not  
    167 proper to calculate the invariant. 
    168  
    169 6. The details of the calculation is available by clicking the 'Details' 
    170 button in the middle of the panel. 
    171  
    172 .. image:: image005.gif 
     147.. note::  This help document was last changed by Steve King, 19Feb2015 
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