QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Dipankar Saha on December 25, 2015, 08:03

Title: Repetition Score
Post by: Dipankar Saha on December 25, 2015, 08:03

Hi,

What could be the impact of Negative Repetition score....?  Say, for an electrode I get_
5.538 Ang @ Rep. Scr. 36 ;  11.078 Ang @ Rep. Scr.  0 and 16.617 Ang @ Rep. Scr.  -36 .....

Regards_
Dipankar

Title: Re: Repetition Score
Post by: Anders Blom on December 26, 2015, 00:26

The absolute number itself doesn't mean much. It's just a way to rank the possible electrodes against each other, and the lower the better, taking into account the periodicity matching and a reasonable length of electrode (not too short, not too short). But generally, a negative score is good, so if you don't see any negative score at all in the list, you should be careful and think why.

Title: Re: Repetition Score
Post by: Dipankar Saha on December 26, 2015, 11:28

Thank you very much Anders ....!!  :)