| Status: | finished. |
| Input files: | /people/kolenko/project/baSHELiXir/p9_se_w2.sca |
| Bravais type: | tI |
| Unit cell parameters: | 113.949 113.949 32.474 90 90 90 |
| Wavelength: | 0.98 |
| Atoms to be found: | 5 Se |
| Number of trials: | 1000 |
| ShelxE parameters: | " -h -a5 -s0.6 -e1.2 " |
- I4 - - I41 - - I422 - - I4122 -
ShelxC input file -
ShelxC logfile
Current resolution is: 999 2.2
ShelxD input file -
ShelxD logfile
shelxe-orig logfile -
shelxe-inv logfile
Graph connectivity vs. cycle
Number of atoms built:
original:
413
inverted:
643
ShelxC input file -
ShelxC logfile
Current resolution is: 999 2.2
ShelxD input file -
ShelxD logfile
shelxe-orig logfile -
shelxe-inv logfile
Graph connectivity vs. cycle
Number of atoms built:
original:
282
inverted:
587
ShelxC input file -
ShelxC logfile
Current resolution is: 999 2.2
ShelxD input file -
ShelxD logfile
shelxe-orig logfile -
shelxe-inv logfile
Graph connectivity vs. cycle
Number of atoms built:
original:
131
inverted:
111
ShelxC input file -
ShelxC logfile
Current resolution is: 999 2.2
ShelxD input file -
ShelxD logfile
shelxe-orig logfile -
shelxe-inv logfile
Graph connectivity vs. cycle
Number of atoms built:
original:
164
inverted:
99
P. Kolenko (2019). baSHELiXir: A Bash Script for Automated Experimental Phasing Using Shelx C/D/E. Chemicke listy, 113, 610-614.
Please cite: I. Uson & G.M. Sheldrick (2018), "An introduction to experimental phasing of macromolecules illustrated by SHELX; new autotracing features" Acta Cryst. D74, 106-116 (Open Access) if SHELXE proves useful.
