Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Crystal structure solution from experimentally determined atomic pair
  distribution functions   The paper describes an extension of the Liga algorithm for structure solution
from atomic pair distribution function (PDF), to handle periodic crystal
structures with multiple elements in the unit cell. The procedure is performed
in 2 separate steps - at first the Liga algorithm is used to find unit cell
sites consistent with pair distances extracted from the experimental PDF. In
the second step the assignment of atom species over cell sites is solved by
minimizing the overlap of their empirical atomic radii. The procedure has been
demonstrated on synchrotron x-ray PDF data from 16 test samples. The structure
solution was successful for 14 samples including cases with enlarged super
cells. The algorithm success rate and the reasons for failed cases are
discussed together with enhancements that should improve its convergence and
usability.

9
The categories of this paper are: nlin
29
The categories of this paper are: funct-an
19
The categories of this paper are: eess
37
The categories of this paper are: supr-con
36
The categories of this paper are: cmp-lg
7
The categories of this paper are: hep-th
33
The categories of this paper are: plasm-ph
1
The categories of this paper are: cs
32
The categories of this paper are: atom-ph
21
The categories of this paper are: adap-org
20
The categories of this paper are: acc-phys
10
The categories of this paper are: q-bio
3
The categories of this paper are: physics
8
The categories of this paper are: hep-ex
30
The categories of this paper are: q-alg
16
The categories of this paper are: stat