def load_refinement(self, ref, stats):
hkl = hklf.reader(open(ref.replace('.dat', '.hkl')))
pdbf = pdb.input(file_name=ref.replace('.dat', '.pdb'))
pdbt = PDBTools(file_name=ref.replace('.dat', '.pdb'))
cs = crystal_symmetry_from_ins.extract_from(ref.replace('.dat', '.ins'))
ma = hkl.as_miller_arrays(crystal_symmetry=cs)
mp = pdbf.xray_structure_simple().scatterers()[0].multiplicity()
s = pdbt.get_s()
vm = cs.unit_cell().volume() / (pdbt.get_rmm() * mp)
c = ma[0].completeness(d_max=stats['res'])
dmin = stats['res']
r = stats['r']
rfree = stats['rfree']
self._mv.SetLabel('%.2f' % vm)
self._s.SetLabel('%.2f' % s)
self._dmin.SetLabel('%.2f' % dmin)
self._c.SetLabel('%.1f' % (c*100))
self._r.SetLabel('%.3f' % r)
self._rfree.SetLabel('%.3f' % rfree)
sigxr = self._sigx_r(s, vm, c, r, dmin)
self._sigxr.SetLabel('%.4f' % sigxr)
sigxrf = self._sigx_rfree(s, vm, c, rfree, dmin)
self._sigxrf.SetLabel('%.4f' % sigxrf)
x = np.linspace(dmin+0.5,dmin-0.5, 20)
ys = [[],[],[],[],[],[]]
for i in x:
sr = self._sigx_r(s, vm, c, r, i)
ys[0].append(sr)
ys[1].append(sr*1.15)
ys[2].append(sr*0.85)
sr = self._sigx_rfree(s, vm, c, rfree, i)
ys[3].append(sr)
ys[4].append(sr*1.15)
ys[5].append(sr*0.85)
self.ax1.plot(x, ys[0], 'b-', label='R')
self.ax1.fill_between(x, ys[1], ys[2], alpha=0.1, facecolor='blue')
self.ax1.plot(x, ys[3], 'g-', label='Rfree')
self.ax1.fill_between(x, ys[4], ys[5], alpha=0.1, facecolor='green')
al = self.ax1.axis()
yam = al[3]-al[2]
xam = al[1]-al[0]
self.ax1.axhline(y=0.0236, color='purple', label='3sig (ASP)')
self.ax1.axvline(x=dmin, ymin=0, ymax=(sigxr-al[2])/yam, color='0.7', label='Actual')
self.ax1.axhline(y=sigxr, xmin=0, xmax=(dmin-al[0])/xam, color='0.7')
self.ax1.legend(prop={'size':8}, numpoints=1, loc='best', fancybox=True)
