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1.. sld_calculator_help.rst
2
3.. This is a port of the original SasView html help file to ReSTructured text
4.. by S King, ISIS, during SasView CodeCamp-III in Feb 2015.
5
6.. |Ang| unicode:: U+212B
7
8SLD Calculator Tool
9===================
10
11Description
12-----------
13
14The neutron scattering length density (SLD) is defined as
15
16  SLD = (b_c1 + b_c2 + ... + b_cn) / Vm
17
18where b_ci is the bound coherent scattering length of ith of n atoms in a molecule
19with the molecular volume Vm
20
21.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
22
23Specifying the Compound Name
24----------------------------
25
26To calculate scattering length densities enter the empirical formula of a
27compound and its mass density and click "Calculate".
28
29Entering a wavelength value is optional (a default value of 6.0 |Ang| will
30be used).
31
32TIPS!
33
34*  Formula strings consist of atoms and the number of them, such as "CaCO3+6H2O".
35
36*  Groups can be separated by *'+'* or *space*, so "CaCO3 6H2O" works as well.
37
38*  Groups can be defined using parentheses, such as "CaCO3(H2O)6".
39
40*  Parentheses can be nested, such as "(CaCO3(H2O)6)1".
41
42*  Isotopes are represented by their atomic number in *square brackets*, such
43   as "CaCO[18]3+6H2O", H[1], or H[2].
44
45*  Numbers of atoms can be integer or decimal, such as "CaCO3+(3HO0.5)2".
46
47*  The SLD of mixtures can be calculated as well. For example, for a 70-30
48   mixture of H2O/D2O write "H14O7+D6O3" or more simply "H7D3O5" (i.e. this says
49   7 hydrogens, 3 deuteriums, and 5 oxygens) and enter a mass density calculated
50   on the percentages of H2O and D2O.
51
52*  Type "C[13]6 H[2]12 O[18]6" for C(13)6H(2)12O(18)6 (6 Carbon-13 atoms, 12
53   deuterium atoms, and 6 Oxygen-18 atoms).
54   
55.. ZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZZ
56
57.. note::  This help document was last changed by Steve King, 01May2015
58
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