checkCIF procedure

PLAT057


PLAT057 Type_3 Test for correction for absorption needed
 You have indicated that an absorption correction has not been applied. 
 ('_exptl_absorpt_correction_type' 'none'). However, the predicted values of  
 Tmin & Tmax, based on the crystal dimensions given in the '.cif' file, are 
 sufficiently unequal that absorption effects appear to be significant. 
 Therefore, the application of a suitable absorption correction would   
 appear to be required. Also check that the crystal dimensions given in the 
 CIF do represent the actual crystal dimensions as closely as possible. 
 Inaccuracies here can lead to a poor prediction of Tmin & Tmax and give
 rise to these alerts. It should normally be possible to estimate the   
 crystal dimensions to 2 decimal places. Rough estimates to only 1 decimal  
 place may be too inaccurate to provide reliable estimates of Tmin & Tmax.  
Follow IUCr Journals
Sign up for e-alerts
Follow IUCr on Twitter
Follow us on facebook
Sign up for RSS feeds