New PDF release: 100-Area Monthly Reports [for 1947] [declassified]

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If you were paying attention while in SHXG you would have noticed that it was quite difficult to see your structure through all the Q peaks (you might want to open SHXG to check this now but do not save anything or you will change the ins file you are busy editing). Since the structure is refined we really do not need so many extra peaks. There change the PLAN line to the following: PLAN 5 This instructs SHELXL to only give us the 5 highest residual peaks from the difference Fourier map. Now save the ins file and run SHELXL.

To test this we need to run a program which is designed to check for problems with structure solutions. This program is called PLATON. However, before you use PLATON you need to create a file summarizing your current results. The format which is currently the standard is the CIF format (Crystallographic Information Format). Though you have been refining your structure you will see that no file exists with a cif extension in your current working directory. To get SHELXL to create it you will need to do the following.

At the moment you can see that the picture is surrounded by information. If you were to save the picture now this information would be saved too. To see the effect of this lets save a picture. Click once on the EPS button in the right menu bar. ps. To remove this information click on the Decoration button. Again click on the EPS button. ps file above. At the moment the picture is shown in colour and will be saved in colour. If you want to save a picture in black & white click on the Col button.

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100-Area Monthly Reports [for 1947] [declassified]


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