Key points are not available for this paper at this time.
A rapidly converging method for refining approximate atomic models is presented. It combines the conditional structure-factor least-squares procedure described by Waser Acta Cryst. (1963). 16, 1091-1094 with the conjugate gradient method for solving linear systems Hestenes & Stiefel, J. Res. Natl. Bur. Stand. (1952). 49, 409-436. The method allows simultaneous variation of all of the structural parameters, although less than 1% of the derivative matrix need be calculated and stored for large systems and less than {164}th of the diffraction data accessible with Cu radiation need be used. Applications involving a 240 atom mineral and an 812 atom protein are mentioned.
J. H. Konnert (1976) studied this question.