<div style="line-height:1.7;color:#000000;font-size:14px;font-family:arial"><DIV>Hell Britt£¬</DIV>
<DIV> Thank you very much for your reply!</DIV>
<DIV> I add the formatting comments to my data file before the reflection lines, but it hints:</DIV>
<DIV> PowderN: sample: Set multiplicity to 1 for lines [0:7]</DIV>
<DIV> (d-spacing 1.94739 is duplicated 8 times)</DIV>
<DIV> ...</DIV>
<DIV> Here is the powderN component:</DIV>
<DIV>SPLIT 10 COMPONENT sample = PowderN(<BR> reflections = "Ca.lau", format=Crystallographica, radius = 0.0015,<BR> yheight = 0.05, Vc = 23.55, sigma_abs = 2.56, sigma_inc = 0.4)<BR> AT (0, 0, 0.05) RELATIVE slit_beforesample</DIV>
<DIV> </DIV>
<DIV>(Vc, sig_abs,sigma_inc are not correct!)</DIV>
<DIV> <BR><BR><BR><BR><BR></DIV>
<DIV></DIV>
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<DIV><BR></DIV>At 2013-03-29 01:16:16,"Britt Rosendahl Hansen" <broh@fysik.dtu.dk> wrote:<BR>
<BLOCKQUOTE id="isReplyContent" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<DIV>Hi Tom</DIV>
<DIV><BR></DIV>
<DIV>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:</DIV>
<DIV><BR></DIV>
<DIV>
<DIV># Format parameters: Crystallographica format</DIV>
<DIV># column_j 4 multiplicity 'j'</DIV>
<DIV># column_d 5 d-spacing 'd' in [Angs]</DIV>
<DIV># column_F2 7 norm of scattering factor |F|^2 in [fm^2]</DIV>
<DIV># column_h 1</DIV>
<DIV># column_k 2</DIV>
<DIV># column_l 3</DIV>
<DIV>#</DIV>
<DIV># h k l Mult. d-space 2Theta F-squared</DIV></DIV>
<DIV><BR></DIV>
<DIV>Regards,</DIV>
<DIV>Britt</DIV>
<DIV><BR></DIV><BR>
<DIV>
<DIV>On 28/03/2013, at 09.44, ³ÂÑåÖÛ wrote:</DIV><BR class="Apple-interchange-newline">
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<DIV> </DIV><SPAN style="FONT-SIZE: 18px">
<DIV>Hi all,</DIV>
<DIV> 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.</DIV>
<DIV>Unfortunately the system hints as following:</DIV>
<DIV> PowderN: sample: line 271 has invalid definition</DIV>
<DIV> <mult=0 or q=0 or d=0></DIV>
<DIV> ...</DIV>
<DIV> PowderN:sample:File Ca.lau done (0 valid lines.)</DIV>
<DIV> 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.</DIV>
<DIV> Could you please kindly tell me what's wrong with it and how to solve this problem? Thank you!</DIV>
<DIV>Best,</DIV>
<DIV>Tom</DIV></SPAN>
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