Skip to content

Commit 471cf6a

Browse files
committed
Update morph instructions
1 parent 6a06058 commit 471cf6a

File tree

1 file changed

+31
-4
lines changed

1 file changed

+31
-4
lines changed

doc/manual/pdfmorph.texinfo

Lines changed: 31 additions & 4 deletions
Original file line numberDiff line numberDiff line change
@@ -110,7 +110,7 @@ model-independent way. It was originally designed to help a researcher
110110
answer a question: "Has my material undergone a phase transition between
111111
these two measurements?"
112112

113-
A common approach to compare two PDFs is to plot the difference curve below
113+
A common approach to compare two PDFs is to plot the fdifference curve below
114114
the two PDFs. However, a significant signal can be seen in the difference curve
115115
due to benign effects such as thermal expansion (peak shifts), increased thermal
116116
motion (peak broadening), or a change in scale due to differences in the incident
@@ -125,7 +125,8 @@ a list of morphs to apply, which includes "stretching" (scaling the @math{r}-axi
125125
the abscissa, to simulate isotropic expansion/compression), "smearing" (peak broadening
126126
by convlution with a Gaussian), and "scaling" (scaling the ordinate axis). By default,
127127
@code{PDFmorph} will refine the intensity of the morphs to best match the morphed to
128-
the target PDF.
128+
the target PDF. All morphed PDFs generated by @code{PDFmorph} can easily be saved and
129+
exported (see the @code{--save} option in @ref{PDFmorph options}).
129130

130131
@code{PDFmorph} includes other morphs including those that factor in nanoparticle
131132
shape effects. For a full list of available morphs, see @ref{Available morphs}.
@@ -404,6 +405,13 @@ We have reached the optimal fit for our PDF!
404405
@ScreenShot{images/qs_tutorial_morphed,png}
405406
@caption{The optimal fit after applying the scale, smear, and stretch morphs.}
406407
@end float
408+
@item To save your new morphed PDF as a file named @code{morph.gr}, use the save command
409+
@example
410+
pdfmorph darkSub_rh20_C_01.gr darkSub_rh20_C_44.gr --scale=0.8 \
411+
--smear=-0.84 --stretch=0.005 --rmin=1.5 --rmax=30 \
412+
--save=morph.gr
413+
@end example
414+
Type @code{ls} to confirm a new file named @code{morph.gr} has been saved.
407415
@item Now, try it on your own!
408416
If you have personally collected or otherwise readily available PDF data,
409417
try this process to see if you can morph your PDFs to one another.
@@ -523,6 +531,17 @@ can be done with @url{https://www.diffpy.org/products/pdfgui, PDFgui}.
523531
@caption{The refined stretch factor for each target PDF. There is very little change between @math{192K} and
524532
@math{198K}.}
525533
@end float
534+
@item Finally, let us save all the morphed PDFs into a directory named @code{savedMorphs}.
535+
@example
536+
pdfmorph SrFe2As2_150K.gr . --scale=1 --stretch=0 --multiple \
537+
--sort-by=temperature --plot-parameter=stretch \
538+
--save=savedMorphs
539+
@end example
540+
Entering the directory with @code{cd} and viewing its contents with @code{ls},
541+
we see a file named @code{Morph_Reference_Table.txt} with data about the input morph
542+
parameters and refined output parameters and a directory named @code{Morphs} containing
543+
all the morphed PDFs. See the @code{--save-names-file} option to see how you can
544+
set the names for these saved morphs!
526545
@end enumerate
527546

528547
@node Nanoparticle shape effect, , Performing multiple morphs, Extra tutorials
@@ -626,12 +645,20 @@ pdfmorph Ni_bulk.gr Ni_nano_spheroid.cgr --radius=12 --pradius=6 -a
626645
* Shape-related morphs::
627646
@end menu
628647

629-
In this section, we detail a few use-cases for morphs.
648+
In this section, we detail the available morphs and the theory behind when they can
649+
(and should) be applied.
630650

631651
@node Temperature-related morphs, Shape-related morphs, Available morphs, Available morphs
632652
@section Temperature-related morphs
633653
@cindex temperature-related morphs
634654

655+
In this section, we describe the following morphs:
656+
@itemize
657+
@item @code{--stretch=STRETCH} -
658+
@item @code{--scale=SCALE} - scale the ordinate by
659+
@item @code{--smear=SMEAR} - convolute the
660+
@end itemize
661+
635662
@node Shape-related morphs, , Temperature-related morphs, Available morphs
636663
@section Shape-related morphs
637664
@cindex shape-related morphs
@@ -642,7 +669,7 @@ In this section, we detail a few use-cases for morphs.
642669
@chapter PDFmorph options
643670
@cindex pdfmorph options
644671

645-
Explaination of options
672+
646673

647674
@c End TexInfo file
648675
@node Index, Top

0 commit comments

Comments
 (0)