[mcstas-users] (no subject)

[Peter Kjær Willendrup]

Hi Tom,

The message you now get from PowderN is only for information:

You are simply being told that you have multiple entries in the file for the reflection corresponding to d-spacing=1.94739 (8) corresponding also to the multiplicity given in the 4th column - and to make sure the scattered intensity is correct, each of the lines instead get a multiplicity of 1.

Best,

Peter




On Mar 29, 2013, at 04:02 , 陈彦舟 <wokaoyan1981 at 126.com<mailto:wokaoyan1981 at 126.com>> wrote:

Hell Britt，
      Thank you very much for your reply!
       I add the formatting comments to my data file before the reflection lines, but it hints:
       PowderN: sample: Set multiplicity to 1 for lines [0:7]
        (d-spacing 1.94739 is duplicated 8 times)
                                           ...
       Here is the powderN component:
SPLIT 10 COMPONENT sample = PowderN(
    reflections = "Ca.lau", format=Crystallographica, radius = 0.0015,
    yheight = 0.05, Vc = 23.55, sigma_abs = 2.56, sigma_inc = 0.4)
  AT (0, 0, 0.05) RELATIVE slit_beforesample

(Vc, sig_abs,sigma_inc are not correct!)






At 2013-03-29 01:16:16,"Britt Rosendahl Hansen" <broh at fysik.dtu.dk<mailto:broh at fysik.dtu.dk>> wrote:
Hi Tom

I don't know if anyone else replied to you already. You have to add the formatting comments to your data file before the reflection lines:

# Format parameters: Crystallographica format
# column_j  4 multiplicity 'j'
# column_d  5 d-spacing 'd' in [Angs]
# column_F2 7 norm of scattering factor |F|^2 in [fm^2]
# column_h 1
# column_k 2
# column_l 3
#
# h   k   l Mult. d-space 2Theta   F-squared

Regards,
Britt


On 28/03/2013, at 09.44, 陈彦舟 wrote:


Hi all,
     I put the new Ca.lau file (see enclosure) generated by Crystallographica codes in "C:\McStas\lib\data" and then run a simulation reading Ca.lau for PowderN component.
Unfortunately the system hints as following:
                                                             PowderN: sample: line 271 has invalid definition
                                                                     <mult=0  or   q=0   or    d=0>
                                                                                     ...
                                                             PowderN:sample:File Ca.lau done (0 valid lines.)
     I carefully compared this Ca.lau file with other lau files in the data folder which could be read successfully by my model, but found nothing different in format.
     Could you please kindly tell me what's wrong with it and how to solve this problem? Thank you!
Best,
Tom



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Britt Rosendahl Hansen

Post doc

DTU Physics


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Technical University of Denmark



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Peter Kjær Willendrup
Development engineer

DTU Physics





Technical University of Denmark



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