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using CrystFEL
macro addmeasurement(measurement, weight,
mean, sumweight, wksp)
return quote
delta = $(esc(measurement)) - $(esc(mean))
newsumweight = $(esc(sumweight)) + $(esc(weight))
R = delta * $(esc(weight)) / newsumweight
$(esc(mean)) += R
$(esc(wksp)) += $(esc(sumweight)) * delta * R
$(esc(sumweight)) = newsumweight
end
end
cstddev(nmeas, work1, work2) = sqrt(work2/work1)/sqrt(nmeas)
function mergereflections(correction, crystalrefls, sym)
merged = RefList{MergedReflection}(sym)
for (cr,reflections) in crystalrefls
for refl in reflections
indices = asymmetricindices(sym, refl.indices)
model_version = get!(merged, indices)
@addmeasurement(correction(refl.intensity, cr), 1.0,
model_version.intensity,
model_version.temp1,
model_version.temp2)
model_version.nmeasurements += 1
end
end
for refl in merged
if refl.nmeasurements > 1
refl.sigintensity = cstddev(refl.nmeasurements, refl.temp1, refl.temp2)
else
# Cannot delete a reflection from a list (especially not
# while iterating), but setting nmeasurements to zero
# prevents it from being written to the output file.
refl.nmeasurements = 0
end
end
return merged
end
let st = Stream("input.stream", "r")
merged = mergereflections((i,cr)->i, allcrystals(st), SymOpList("2/m_uab"))
savereflist!(merged, "merged.hkl")
end
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