| Status: | finished. |
| Input files: | /people/kolenko/project/baSHELiXir/anom_data.hkl |
| Bravais type: | |
| Unit cell parameters: | 65.73 65.73 47.16 90 90 90 |
| Wavelength: | 1.54 |
| Atoms to be found: | 15 S |
| Number of trials: | 1000 |
| ShelxE parameters: | " -a5 -h -s0.5 -m5 " |
- P4 - - P41 - - P42 - - P43 - - P43212 -
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:
379
inverted:
284
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:
253
inverted:
258
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:
316
inverted:
351
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:
416
inverted:
311
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:
442
inverted:
157
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.
