Changeset 2f539b2 in sasview for src/sas/qtgui/Calculators/media/sas_calculator_help.rst
- Timestamp:
- May 16, 2018 5:35:45 AM (7 years ago)
- Branches:
- ESS_GUI, 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
- Children:
- 085e3c9d
- Parents:
- d1fa2b8
- File:
-
- 1 edited
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src/sas/qtgui/Calculators/media/sas_calculator_help.rst
r417c03f r2f539b2 24 24 25 25 Assuming that all the pixel sizes are the same, the elastic scattering 26 intensity from the particle is 26 intensity from the particle is defined as 27 27 28 28 .. image:: gen_i.png … … 33 33 the position of the $j^\text{th}$ pixel respectively. 34 34 35 The total volume $V$ 35 The total volume $V$ is equal to 36 36 37 37 .. math:: … … 43 43 density * Avogadro number) for the atomic structures). 44 44 45 $V$ can be corrected by users. This correction is useful especially for an 46 atomic structure (such as taken from a PDB file) to get the right normalization. 47 48 *NOTE! $\beta_j$ displayed in the GUI may be incorrect but this will not 49 affect the scattering computation if the correction of the total volume V is made.* 45 $V$ can be corrected by users (input parameter `Total volume`). This correction 46 is useful especially for an atomic structure (such as taken from a PDB file) 47 to get the right normalization. 48 49 *NOTE! $\beta_j$ displayed in the GUI may be incorrect (input parameter 50 `solvent_SLD`) but this will not affect the scattering computation if the 51 correction of the total volume V is made.* 50 52 51 53 The scattering length density (SLD) of each pixel, where the SLD is uniform, is … … 99 101 .. image:: mxp.png 100 102 103 104 101 105 .. image:: myp.png 102 106 107 108 103 109 .. image:: mzp.png 104 110 111 112 105 113 .. image:: mqx.png 106 114 115 116 107 117 .. image:: mqy.png 108 118 109 Here the $M 0_x$, $M0_y$ and $M0_z$ are the $x$, $y$ and $z$119 Here the $M_{0x}$, $M_{0y}$ and $M_{0z}$ are the $x$, $y$ and $z$ 110 120 components of the magnetisation vector in the laboratory $xyz$ frame. 121 122 123 .. .. image:: Mxyzp.png 124 111 125 112 126 .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ … … 115 129 -------------- 116 130 117 .. image:: gen_gui_help.png 118 119 After computation the result will appear in the *Theory* box in the SasView 131 .. figure:: gen_gui_help.png 132 133 .. 134 135 1) Load .sld, .txt, or .omf datafile 136 2) Select default shape of sample 137 3) Draw magnetization with arrows (not recommended for a large number of 138 pixels). 139 4) Ratio of (+/total) neutrons after analyser 140 5) Ratio of (+/total) neutrons before sample 141 6) Polarization angle in degrees 142 7) Default volume calculated from the pixel info 143 (or natural density of pdf file) 144 8) Compute the scattering pattern 145 9) Reset GUI to initial state 146 10) Display mean values or enter a new value if enabled 147 11) Save the sld data as sld format 148 149 .. After computation the result will appear in the *Theory* box in the SasView 120 150 *Data Explorer* panel. 121 151 … … 126 156 of neutrons before the sample and at the analyzer, respectively. 127 157 128 *NOTE 1. The values of * Up_frac_in *and* Up_frac_out *must be in the range158 *NOTE 1. The values of Up_frac_in and Up_frac_out must be in the range 129 159 0.0 to 1.0. Both values are 0.5 for unpolarized neutrons.* 130 160 … … 133 163 134 164 *NOTE 3. For the nuclear scattering length density, only the real component 135 is taken account.*165 is taken into account.* 136 166 137 167 .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ … … 151 181 152 182 where $v_j \beta_j \equiv b_j$ is the scattering 153 length of the $j^\text{th}$ atom. The calculation output is passed to the *Data Explorer* 183 length of the $j^\text{th}$ atom. 184 .. The calculation output is passed to the *Data Explorer* 154 185 for further use. 155 186 156 .. image:: pdb_combo.jpg 187 .. figure:: pdb_combo.png 188 189 .. 190 191 1) PDB file loaded 192 2) disabled input for *Up_frac_in*, *Up_frac_oupt*, *Up_theta* 193 3) option to perform the calculations using "Fixed orientations" (2D output) 194 or "Averaging over all orientations using Debye equation" (1D output). 195 This choice is only available for PDB files. 196 197 157 198 158 199 .. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
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