[Ifeffit] Fe B standard
Marco A. Alsina
malsina at ing.puc.cl
Wed Mar 29 16:48:49 CST 2006
Not so long ago I also did data mining at the Farrel Lytle database, and
here is what I found based on typical values for common faces of Si
crystal and step per degree values;
CUEDGE dspace stpdeg energy
42147 1.92017 2000 8978.950759
84294 1.92017 4000 8978.950759
50880 3.13562 4000 8979.010145
168620 1.92017 8000 8977.324319
183931 0.96008 4000 8978.996359
337234 1.92017 16000 8977.476771
This should help when someone encounter data files where the dspace or
stpdeg entries are missing, and of course fot the macro you will also
need to set dspace as a variable;
Too bad that macros doesnt support "if then" conditionals statemens
macro read_lytle file group 1.92017 8000
read_data ($1, group=$2, narrays=2)
set (dspace = $3, stpdeg = $4)
set (r2d = 57.29577951, hc = 12398.61)
set $2.energy = hc / (2 * dspace) / sin($2.1 / (r2d * stpdeg))
set $2.xmu = $2.2
end macro
on 29/03/2006 17:23 Matt Newville wrote:
> I believe Marco's right, and that you want a script like this:
> macro read_lytle file group 8000
> read_data ($1, group=$2, narrays=2)
> set (dspace = 1.92017, stpdeg = $3)
> set (r2d = 57.29577951, hc = 12398.61)
> set $2.energy = hc / (2 * dspace) / sin($2.1 / (r2d * stpdeg))
> set $2.xmu = $2.2
> end macro
>
> read_lytle beerbottle.dat
>
> Sorry the FAQ is so far out of date and the Wiki doesn't have such
> info. Perhaps someone else would be willing to write a How to Use the
> Lytle Database on the Wiki or (even better) convert all the data
> available to a more useful format.
>
> --Matt
>
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