@@ -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
188188files 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
194194It 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
196196at various temepratures to determine whether a phase change has occured.
197197PDFmorph currently allows users to morph a PDF against all files in a
198198selected 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_2 As_2 ` measured at various temperatures.
202202 These PDFs are from `"Atomic Pair Distribution Function Analysis: A primer" <https://github.com/Billingegroup/pdfttp_data/ >`_.
2032032. 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 ``.
2112113. 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.
2182184. 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.
239239We can use PDFmorph to morph a bulk material PDF to simulate these shape effects.
240240Currently, 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.
0 commit comments