(IUCr) Crystallography Journals Online checkcif report

[Contents scheme]

Acta Cryst. (2002). E58, o272-o276 [ doi:10.1107/S1600536802002234 ]

Bis(L-glutamic acid) sulfate hemihydrate

B. Sridhar, N. Srinivasan and R. K. Rajaram

Online 22 February 2002

Key indicators

Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R factor = 0.033
wR factor = 0.087
Data-to-parameter ratio = 6.7

checkCIF results

No syntax errors found

ADDSYM reports no extra symmetry


 Alert Level C:



PLAT_213  Alert C Atom C214    has ADP max/min Ratio ...........       3.20 prolate

PLAT_213  Alert C Atom O81C    has ADP max/min Ratio ...........       3.70 prolate

General Notes



ABSTM_02  When printed, the submitted absorption T values will be replaced      
          by the scaled T values. Since the ratio of scaled T's is              
          identical to the ratio of reported T values, the scaling does         
          not imply a change to the absorption corrections used in the          
          study.                                                                
          Ratio of Tmax expected/reported      1.132                            
          Tmax scaled      0.878 Tmin scaled      0.826                         

REFLT_03                                                                        
         From the CIF: _diffrn_reflns_theta_max           25.00                 
         From the CIF: _reflns_number_total               6238                  
         Count of symmetry unique reflns         5961                           
         Completeness (_total/calc)            104.65%                          
         TEST3: Check Friedels for noncentro structure                          
         Estimate of Friedel pairs measured       277                           
         Fraction of Friedel pairs measured     0.046                           
         Are heavy atom types Z>Si present          yes                         
          WARNING: Large fraction of Friedel related reflns may                 
                   be needed to determine absolute structure                    


 0 Alert Level A = Potentially serious problem

 0 Alert Level B = Potential problem

 2 Alert Level C = Please check