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Hello Geoff--
> Could someone please point me toward some examples or references for the
> SAXS module and functions?
>
there's an example in eginput/dna_refi/ensemble.py, but that's a bit
specific to waxs, and has the complication of working with an
ensemble. Below I'm including a more general snippet to be included in a
Python script. Input saxs data should be in a file (called expt.dat
below), which contains lines of the form
q I(q) e(q)
where I(q) is the recorded intensity at scattering amplitude q, and e(q)
is the experimental error (standard deviation). There are two lines to
uncomment to include effects of the solvent boundary layer, but this may
not be necessary.
best regards--
Charles
from solnXRayPotTools import create_solnXRayPot
import solnXRayPotTools
xray=create_solnXRayPot('xray',experiment='expt.dat',
normalizeIndex=-3,preweighted=False)
xrayCorrect=create_solnXRayPot('xray-c',
experiment='expt.dat',
normalizeIndex=-3,preweighted=False)
solnXRayPotTools.useGlobs(xray)
xray.setNumAngles(50)
xrayCorrect.setNumAngles(500)
xray.setScale(100)
potList.append(xray)
crossTerms.append(xrayCorrect)
#
# to include a solvent boundary layer, uncomment the next two lines.
#from solnScatPotTools import fitParams
#rampedParams.append( StaticRamp("fitParams(xrayCorrect)") )
#corrects I(q) to higher accuracy,
# and (optionally) include possible solvent contribution corrections
rampedParams.append( StaticRamp("xray.calcGlobCorrect(xrayCorrect.calcd())") )
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