[GSAS-II] Errors during powder pattern import

[Bernd Maier]

Hello,

I want to report the following errors during data import using this system 
setup:

GSAS-II binary directory:  /opt/GSAS2/bin
Python module versions loaded:
python:      2.7.6
wxpython:    2.8.12.1
matplotlib:  1.3.1
numpy:       1.8.0
scipy:       0.13.3
OpenGL:      3.0.2a5
This is GSAS-II version:      0.2.0  revision 1219

On loading a XY dataset without specifying an instrument resolution file but 
choosing defaults for lab Cu X-rays, the following error occurs:

/opt/GSAS2/imports/G2pwd_xye.py:23: RuntimeWarning: invalid value encountered 
in arcsin
  npasind = lambda x: 180.*np.arcsin(x)/np.pi
Traceback (most recent call last):
  File "/opt/GSAS2/GSASII.py", line 1172, in OnImportPowder
    Iparm1,Iparm2 = self.GetPowderIparm(rd, Iparm, lastIparmfile, lastdatafile)
  File "/opt/GSAS2/GSASII.py", line 1139, in GetPowderIparm
    return SetPowderInstParms(rd.defaultIparms[res],rd)
  File "/opt/GSAS2/GSASII.py", line 930, in SetPowderInstParms
    wave1 = wl[0]
TypeError: 'float' object has no attribute '__getitem__'

If I use an instrument resolution file, the pattern loads, but is not shown in 
the graph plot. The following error is given:

/usr/lib/python2.7/site-packages/matplotlib/lines.py:503: RuntimeWarning: 
invalid value encountered in greater_equal
  return np.alltrue(x[1:] - x[0:-1] >= 0)

When I was still using ubuntu 12.04 it was working, now I'm on archlinux which 
has newer packages. I guess this might be the problem. This is by the way true 
for wxpython, since the dialogs work only properly for version 2.8, not for 
3.0.

Best wishes,
Bernd

-- 
Dr. Bernd Maier
Ludwig-Maximilians Universität München
Department für Geo- und Umweltwissenschaften
Sektion Kristallographie
Theresienstraße 41
D-80333 München
Phone: +49 (0)89 2180 4340
Fax: +49 (0)89 2180 4334
E-mail: bernd.maier at lmu.de