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Hi Tom,
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</div>
<div>The message you now get from PowderN is only for information: </div>
<div><br>
</div>
<div>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.</div>
<div><br>
</div>
<div>Best,</div>
<div><br>
</div>
<div>Peter</div>
<div><br>
</div>
<div><br>
</div>
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<div><br>
<div>
<div>On Mar 29, 2013, at 04:02 , 陈彦舟 <<a href="mailto:wokaoyan1981@126.com">wokaoyan1981@126.com</a>> wrote:</div>
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<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>
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<div></div>
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At 2013-03-29 01:16:16,"Britt Rosendahl Hansen" <<a href="mailto:broh@fysik.dtu.dk">broh@fysik.dtu.dk</a>> 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, 陈彦舟 wrote:</div>
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<div> </div>
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<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>
<div> </div>
</div>
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