MR rotation function

Douglass Sillars si98dr38 at ACS.WOOSTER.EDU
Mon Jan 19 14:38:25 EST 1998

 I am new to Xplor and am trying to solve a structure by MR using the
sample files, and following the manual.  When I get to the cross rotation
function, my RF function values seem very strange.  It seems to me that an
integral of an area with only positive values should give a positive value.
What I get is the following:

 ! index, theta1, theta2, theta3, RF-function (EPSIlon= 0.25)
      1   240.188  79.615 223.313   -5.5437
     15   239.389  83.077 212.919   -5.6356
     45   241.313  79.615 235.688   -5.7169
    103   234.752  86.538 229.458   -5.8257
    131   242.438  79.615 203.063   -5.8566
    151    62.653  90.000  47.347   -5.8809
    194   240.357  90.000 205.357   -5.9275

Is it common for the RF-function values to be negative?  What effect will
the negative values have on PC refinement?  I have continued with my
refinement and had problems, and this is the only problem that I do not
Thank you in advance,
Doug Sillars

At school:        Box c-2759
                       Wooster, OH 44691
On computer:  si98dr38 at

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