diff --git a/LICENSE.txt b/LICENSE.txt index 77e7af79..78f068c2 100644 --- a/LICENSE.txt +++ b/LICENSE.txt @@ -1,7 +1,7 @@ This program is part of the DiffPy open-source project at Columbia University and is available subject to the conditions and terms laid out below. -Copyright © 2009-2019, Trustees of Columbia University in the City of New York, +Copyright © 2009-2024, Trustees of Columbia University in the City of New York, all rights reserved. For more information please visit the diffpy web-page at http://diffpy.org or diff --git a/doc/manual/source/conf.py b/doc/manual/source/conf.py index 224ee995..772d2036 100644 --- a/doc/manual/source/conf.py +++ b/doc/manual/source/conf.py @@ -21,7 +21,7 @@ project = "PDFmorph" project_full = "diffpy.pdfmorph" -copyright = "2009-2019, Trustees of Columbia University in the City of New York, all rights reserved." +copyright = "2009-2024, Trustees of Columbia University in the City of New York, all rights reserved" author = "Chris Farrow, Christopher J. Wright, Pavol Juhás, Chia-Hao (Timothy) Liu, S. Matthew Román, Simon J.L. Billinge" # The full version, including alpha/beta/rc tags diff --git a/doc/manual/source/license.rst b/doc/manual/source/license.rst index 826133d5..01167831 100644 --- a/doc/manual/source/license.rst +++ b/doc/manual/source/license.rst @@ -5,7 +5,7 @@ This program is part of the DiffPy open-source project at Columbia University and is available subject to the conditions and terms laid out below. -Copyright © 2009-2019, Trustees of Columbia University in the City of +Copyright © 2009-2024, Trustees of Columbia University in the City of New York, all rights reserved. For more information please visit the diffpy web-page at diff --git a/doc/manual/source/quickstart.rst b/doc/manual/source/quickstart.rst index 06e76455..0e4c7b41 100644 --- a/doc/manual/source/quickstart.rst +++ b/doc/manual/source/quickstart.rst @@ -211,15 +211,16 @@ selected directory and plot resulting :math:`R_w` values from each morph. 3. After running this, we get chart of Rw values for each target file. However, this chart can be a bit confusing to interpret. To get a more understandable plot, run :: - pdfmorph SrFe2As2_150K.gr . --multiple --temperature + pdfmorph SrFe2As2_150K.gr . --multiple --sort-by=temperature - The temperature option can be used when our files end in ``_#K.gr`` or ``_#K.cgr`` where ``#`` - is a temperature (float value). When enabled, PDFmorph will plot Rw values against the temperatures. + This plots the Rw against the temperature parameter value provided at the top of each file. + Parameters are entries of the form `` = `` and are located + above the ``r`` versus ``gr`` table in each PDF file. 4. Between 192K and 198K, the Rw has a sharp increase, indicating that we may have a phase change. To confirm, let us now apply morphs onto ``SrFe2As2_150K.gr`` with all other files in ``morphMultiple`` as targets :: - pdfmorph --scale=1 --stretch=0 SrFe2As2_150K.gr . --multiple --temperature + pdfmorph --scale=1 --stretch=0 SrFe2As2_150K.gr . --multiple --sort-by=temperature Note that we are not applying a smear since it takes a long time to apply and does not significantly change the Rw values in this example. diff --git a/doc/manual/source/tutorialfiles.rst b/doc/manual/source/tutorialfiles.rst new file mode 100644 index 00000000..eee9501b --- /dev/null +++ b/doc/manual/source/tutorialfiles.rst @@ -0,0 +1,8 @@ +Download Tutorial Files Here +############################ + +Quick start tutorial data: +:download:`tutorialData.zip <../../../tutorial/tutorialData.zip>` + +Extra tutorial data: +:download:`additionalData.zip <../../../tutorial/additionalData.zip>` diff --git a/tutorial/additionalData.zip b/tutorial/additionalData.zip index 7a13b0fb..8a87c8aa 100644 Binary files a/tutorial/additionalData.zip and b/tutorial/additionalData.zip differ