source: sasview/docs/pre-sphinx-docs/sld_calculator_help_v0.html @ c43953ef

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Last change on this file since c43953ef was 54b9ad2, checked in by smk78, 9 years ago

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1<html>
2<body>
3<h4>Scattering Length Density (SLD) Calculator</h4>
4<ul>
5<li><a href="#SLD_calculator">Description</a></li>
6<li><a href="#How to use">How to format the compound name?</a></li>
7</ul>
8<h5><a name="SLD_calculator">Description</a></h5>
9<p>
10The neutron scattering length density is defined as: <br> 
11SLD = (b_c1 +b_c2+...+b_cn )/Vm  <br> where b_ci is the bound coherent scattering length of ith of
12n atoms in a molecule with the molecular volume Vm
13</p>
14
15
16<h5><a name="How to use">How to format the compound name?</a></h5>
17<p>
18To calculate scattering length densities enter a compound and
19a mass density and click "Calculate". Enter a wavelength value is optional and its default
20value will be 6.0A.
21</p> 
22<p>
23<ul>
24<li>Formula strings consist of counts and atoms such as "CaCO3+6H2O".</li>
25<li>Groups can be separated by <b>'+'</b> or <b>space</b>, so "CaCO3 6H2O" works as well.</li>
26<li>Groups and be defined using parentheses, such as "CaCO3(H2O)6".</li>
27<li>Parentheses can nest: "(CaCO3(H2O)6)1".</li>
28<li>Isotopes are represented by index, e.g., "CaCO[18]3+6H2O".</li>
29More examples: H[1], H[2].
30<li>Counts can be integer or decimal, e.g. "CaCO3+(3HO0.5)2".</li>
31Other compositions can be calculated as well,<br>
32for example a 70-30 mixture of H2O/D2O can be written as <b>H14O7+ D6O3</b><br>
33or more simply <b>H7D3O5 <\b>(i.e. 7 hydrogens, 3 deuteriums, and 5 oxygens)<br>
34and the mass density calculated based on the percentages of H and D.
35Type for example "C[13]6 H[2]12 O[18]6" for C(13)6H(2)12O(18)6 (6 Carbon-13 atoms, 12 deuterium atoms, and 6 Oxygen-18 atoms)
36
37</ul>
38</p>
39
40</body>
41
42</html>
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