ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalccostrafo411magnetic_scattrelease-4.1.1release-4.1.2release-4.2.2release_4.0.1ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload
|
Last change
on this file since 56f8401 was
3e0d308,
checked in by Gervaise Alina <gervyh@…>, 15 years ago
|
|
rename doc folder as media
|
-
Property mode set to
100644
|
|
File size:
1.6 KB
|
| Line | |
|---|
| 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> |
|---|
| 10 | The neutron scattering length density is defined as: <br> |
|---|
| 11 | SLD = (b_c1 +b_c2+...+b_cn )/Vm <br> where b_ci is the bound coherent scattering length of ith of |
|---|
| 12 | n 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> |
|---|
| 18 | To calculate scattering length densities enter a compound and |
|---|
| 19 | a mass density and click "Calculate". Enter a wavelength value is optional and its default |
|---|
| 20 | value 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> |
|---|
| 29 | More examples: H[1], H[2]. |
|---|
| 30 | <li>Counts can be integer or decimal, e.g. "CaCO3+(3HO0.5)2".</li> |
|---|
| 31 | Other compositions can be calculated as well,<br> |
|---|
| 32 | for example a 70-30 mixture of H2O/D2O can be written as <b>H14O7+ D6O3</b><br> |
|---|
| 33 | or more simply <b>H7D3O5 <\b>(i.e. 7 hydrogens, 3 deuteriums, and 5 oxygens)<br> |
|---|
| 34 | and the mass density calculated based on the percentages of H and D. |
|---|
| 35 | Type 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> |
|---|
Note: See
TracBrowser
for help on using the repository browser.
