"s csti.ins nqa" to start System S/Platon running in NQA mode
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Refer to Runthrough on Installing the Entire
System S Suite on UNIX (Platon/System S, Shelx, Sir, Crunch and Dirdif)
The following screen dumps were taken on a PC Windows X-server. Normally System S/Platon looks much nicer when viewed on a native UNIX screen |
The Starting INS FileNo need for spacegroup information as System S/Platon will try and work this out. You should only put the molecular formular as System S/Platon will try and work out Z for you.
TITL Cesium Titanium Silicate, I.E., Grey, R. Roth et al. CELL 0.71073 13.38600 7.42300 15.13400 90.0000 107.7100 90.0000 ZERR 4 0.00200 0.00200 0.00100 0.0010 0.0500 0.0500 SFAC CS O SI TI UNIT 2 15 6 1 HKLF 4 |
"s csti.ins nqa" to start System S/Platon running in NQA mode
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System S/Platon now determining the spacegroup
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System S/Platon has got the spacegroup, now determining Z
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System S/Platon Still Determining Z
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System S/Platon has got Z, it is a heavy atom problem so uses Dirdif to solve and autobuild the structure
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System S/Platon via Dirdif has solved the structure, has determined there is no need to autobuild and is refining via Shelxl isotropically
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System S/Platon via Shelxl is now refining anisotropically
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System S/Platon via Shelxl has refined anisotropically down to 3.5%, and is now optimising the weights via Shelxl
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System S/Platon still optimising the Shelx weights
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System S/Platon is now performing automatic structure Validation
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System S/Platon reports the results of the validation
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System S/Platon reports the results of the validation
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System S/Platon suggests that you now may like to look at the struture in ORTEP/ADP mode
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System S/Platon looking at the structure in ORTEP/ADP mode
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Now back in System S/Platon mode and can manually play around and investigate the structure
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