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Structure Determination by Powder Diffractometry Round Robin

The SDPDRR Homepage is at


Participant results are discussed in the CPD Newsletter 25.

3 participants sent results for the tetracycline hydrochloride sample :
- using MYSTIC+DRUID (now DASH)
- using the CSD package
- post-deadline using PowderSolve

Below is the sample selection story and the summary of the organizers efforts in order to verify the possibility to determine the structures. 

You will not find here the "best" results, just "our results". Anyway, we are not participants. 

These results should help you to wait for the publication of the SDPD Round Robin conclusions, if any. Preliminary conclusions will be given at ECM-18. 

Both samples were considered to correspond to the limit of feasibility, owing to the moderate resolution of the powder patterns provided (FWHM ~0.25° 2-theta at 1.54 A for sample 1 and 0.05° at 0.692 A for sample 2). We should be able to extrapolate linearly to the feasibility limits with FWHM ~0.03° (or less) at 1.5 A. 

Many thanks for your participation. If any complaint comes to your mind about this Round Robin, do no hesitate to email your opinion to the organizers. 

Copyright © 1998 L.M.D Cranswick & A. Le Bail

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Please feel free to email any queries to Lachlan Cranswick at: