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Merge branch 'master' of github.com:diffpy/diffpy.srmise
2 parents 0e0ea15 + f15ea3c commit 4271f42

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diffpy/srmise/applications/plot.py

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@@ -105,7 +105,7 @@ def comparepositions(ppe, ip=None, **kwds):
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if ip is not None:
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plt.ylim(base+yideal, base+yext)
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else:
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plt.ylim(base+yideal, base)
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plt.ylim(base, base+yext)
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for tick in ax.yaxis.get_major_ticks():
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tick.tick1line.set_markersize(0)

doc/examples/README

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@@ -44,15 +44,15 @@ Productively running SrMise requires, in basic, the following elements:
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2) The experimental uncertainties. In principle these should be reported with
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the data, but in practice experimental uncertainties are frequently not
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reported, or are unreliable due to details of the data reduction process.
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In these cases the user should specify an ad hoc value. In peak extraction
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an ad hoc uncertainty necessarily results in ad hoc model complexity, or,
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In these cases the user should specify an *ad hoc* value. In peak extraction
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an *ad hoc* uncertainty necessarily results in *ad hoc* model complexity, or,
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more precisely, a reasonable model complexity if the provided uncertainty
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is presumed correct. (Even when the uncertainties are known, specifying an
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ad hoc value can be a pragmatic tool for exploring alternate models,
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*ad hoc* value can be a pragmatic tool for exploring alternate models,
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especially in conjunction with multimodeling analysis.) Note that for both
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peak extraction and peak fitting the estimated uncertainties of peak
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parameters (i.e. location, width, intensity) are dependent on the
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experimental uncertainty
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experimental uncertainty.
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3) The PDF baseline. For crystalline samples the baseline is linear and can
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be readily estimated. For nanoparticles more effort is required as SrMise
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includes explicit support for only a few basic shapes, although the user
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* TiO2_parameterdetail.py_
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Introductory script demonstrating basic use of all SrMise parameters. Of
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particular interest, it covers defining a crystalline baseline with
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explicit parameters, and assigning an ad hoc uncertainty when the
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explicit parameters, and assigning an *ad hoc* uncertainty when the
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experimental uncertainties are unreliable or unreported.
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* TiO2_initialpeaks.py_

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