| Status: | finished. |
| Input files: | /people/kolenko/project/baSHELiXir/pse14.HKL |
| Bravais type: | oP |
| Unit cell parameters: | 57.671 82.952 95.055 90.000 90.000 90.000 |
| Wavelength: | 0.979337 |
| Atoms to be found: | 10 Se |
| Number of trials: | 1000 |
| ShelxE parameters: | " -h -a5 -s0.45 -z -e -m5 " |
- P222 - - P2221 - - P2212 - - P2122 - - P21212 - - P21221 - - P22121 - - P212121 -
ShelxC input file -
ShelxC logfile
Current resolution is: 999 2.8
ShelxD input file -
ShelxD logfile
shelxe-orig logfile -
shelxe-inv logfile
Graph connectivity vs. cycle
Number of atoms built:
original:
555
inverted:
450
ShelxC input file -
ShelxC logfile
Current resolution is: 999 2.8
ShelxD input file -
ShelxD logfile
shelxe-orig logfile -
shelxe-inv logfile
Graph connectivity vs. cycle
Number of atoms built:
original:
478
inverted:
508
ShelxC input file -
ShelxC logfile
Current resolution is: 999 2.8
ShelxD input file -
ShelxD logfile
shelxe-orig logfile -
shelxe-inv logfile
Graph connectivity vs. cycle
Number of atoms built:
original:
502
inverted:
577
ShelxC input file -
ShelxC logfile
Current resolution is: 999 2.8
ShelxD input file -
ShelxD logfile
shelxe-orig logfile -
shelxe-inv logfile
Graph connectivity vs. cycle
Number of atoms built:
original:
562
inverted:
457
ShelxC input file -
ShelxC logfile
Current resolution is: 999 2.8
ShelxD input file -
ShelxD logfile
shelxe-orig logfile -
shelxe-inv logfile
Graph connectivity vs. cycle
Number of atoms built:
original:
609
inverted:
414
ShelxC input file -
ShelxC logfile
Current resolution is: 999 2.8
ShelxD input file -
ShelxD logfile
shelxe-orig logfile -
shelxe-inv logfile
Graph connectivity vs. cycle
Number of atoms built:
original:
571
inverted:
541
ShelxC input file -
ShelxC logfile
Current resolution is: 999 2.8
ShelxD input file -
ShelxD logfile
shelxe-orig logfile -
shelxe-inv logfile
Graph connectivity vs. cycle
Number of atoms built:
original:
583
inverted:
638
ShelxC input file -
ShelxC logfile
Current resolution is: 999 2.8
ShelxD input file -
ShelxD logfile
shelxe-orig logfile -
shelxe-inv logfile
Graph connectivity vs. cycle
Number of atoms built:
original:
1193
inverted:
518
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.
