Skip to content

Commit bff2e91

Browse files
authored
Merge pull request #119 from diffpy/Sparks29032-patch-1
Typos in quickstart
2 parents 804feaf + b5b4c0b commit bff2e91

File tree

2 files changed

+12
-12
lines changed

2 files changed

+12
-12
lines changed

doc/manual/source/quickstart.rst

Lines changed: 12 additions & 12 deletions
Original file line numberDiff line numberDiff line change
@@ -55,7 +55,7 @@ Basic PDFmorph Workflow
5555

5656
4. First, we will run the PDFmorph application without any morphing
5757
and only using one PDF. Type the following command into your
58-
Commagnd Line ::
58+
command line ::
5959

6060
pdfmorph darkSub_rh20_C_01.gr darkSub_rh20_C_01.gr
6161

@@ -188,38 +188,38 @@ Tutorials for these additional functionalities are included below. Additional
188188
files for these tutorials can be downloaded
189189
:download:`here <../../../tutorial/additionalData.zip>`.
190190

191-
Performing a Sequence of Morphs
192-
-------------------------------
191+
Performing Multiple Morphs
192+
--------------------------
193193

194194
It may be useful to morph a PDF against multiple targets:
195-
for example, you may want to morph a PDF against a sequence of PDFs measured
195+
for example, you may want to morph a PDF against multiple PDFs measured
196196
at various temepratures to determine whether a phase change has occured.
197197
PDFmorph currently allows users to morph a PDF against all files in a
198198
selected directory and plot resulting :math:`R_w` values from each morph.
199199

200-
1. Within the ``additionalData`` directory, ``cd`` into the ``morphsequence`` directory.
200+
1. Within the ``additionalData`` directory, ``cd`` into the ``morphMultiple`` directory.
201201
Inside, you will find multiple PDFs of :math:`SrFe_2As_2` measured at various temperatures.
202202
These PDFs are from `"Atomic Pair Distribution Function Analysis: A primer" <https://github.com/Billingegroup/pdfttp_data/>`_.
203203
2. Let us start by getting the Rw of ``SrFe2As2_150K.gr`` compared to all other files in the
204204
directory. Run ::
205205

206-
pdfmorph SrFe2As2_150K.gr . --sequence
206+
pdfmorph SrFe2As2_150K.gr . --multiple
207207

208-
The sequence tag indicates we are comparing PDF file (first input) against all PDFs in
208+
The multiple tag indicates we are comparing PDF file (first input) against all PDFs in
209209
a directory (second input). Our choice of file was ``SeFe2As2_150K.gr``
210-
and directory was the cwd, which should be ``morphsequence``.
210+
and directory was the cwd, which should be ``morphMultiple``.
211211
3. After running this, we get chart of Rw values for each target file. However, this chart can
212212
be a bit confusing to interpret. To get a more understandable plot, run ::
213213

214-
pdfmorph SrFe2As2_150K.gr . --sequence --temperature
214+
pdfmorph SrFe2As2_150K.gr . --multiple --temperature
215215

216216
The temperature option can be used when our files end in ``_#K.gr`` or ``_#K.cgr`` where ``#``
217217
is a temperature (float value). When enabled, PDFmorph will plot Rw values against the temperatures.
218218
4. Between 192K and 198K, the Rw has a sharp increase, indicating that we may have a phase change.
219-
To confirm, let us now apply morphs onto ``SrFe2As2_150K.gr`` with all other files in ``morphsequence``
219+
To confirm, let us now apply morphs onto ``SrFe2As2_150K.gr`` with all other files in ``morphMultiple``
220220
as targets ::
221221

222-
pdfmorph --scale=1 --stretch=0 SrFe2As2_150K.gr . --sequence --temperature
222+
pdfmorph --scale=1 --stretch=0 SrFe2As2_150K.gr . --multiple --temperature
223223

224224
Note that we are not applying a smear since it takes a long time to apply and does not significantly
225225
change the Rw values in this example.
@@ -239,7 +239,7 @@ A nanoparticle's finite size and shape can affect the shape of its PDF.
239239
We can use PDFmorph to morph a bulk material PDF to simulate these shape effects.
240240
Currently, the supported nanoparticle shapes include: spheres and spheroids.
241241

242-
* Within the ``additionalData`` directory, ``cd`` into the ``morphshape`` subdirectory.
242+
* Within the ``additionalData`` directory, ``cd`` into the ``morphShape`` subdirectory.
243243
Inside, you will find a sample Ni bulk material PDF ``Ni_bulk.gr``.
244244
This PDF is from `"Atomic Pair Distribution Function Analysis: A primer" <https://github.com/Billingegroup/pdfttp_data/>`_.
245245
There are also multiple ``.cgr`` files with calculated Ni nanoparticle PDFs.

tutorial/additionalData.zip

796 Bytes
Binary file not shown.

0 commit comments

Comments
 (0)