diffpy.utils 3.6.0rc4__py3-none-any.whl → 3.6.1__py3-none-any.whl
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- diffpy/utils/__init__.py +4 -2
- diffpy/utils/diffraction_objects.py +143 -65
- diffpy/utils/parsers/custom_exceptions.py +3 -1
- diffpy/utils/parsers/loaddata.py +61 -32
- diffpy/utils/parsers/serialization.py +29 -14
- diffpy/utils/resampler.py +28 -21
- diffpy/utils/tools.py +131 -70
- diffpy/utils/transforms.py +21 -12
- diffpy/utils/validators.py +3 -2
- diffpy/utils/version.py +4 -2
- diffpy/utils/wx/gridutils.py +9 -3
- {diffpy.utils-3.6.0rc4.dist-info → diffpy_utils-3.6.1.dist-info}/METADATA +24 -16
- diffpy_utils-3.6.1.dist-info/RECORD +21 -0
- {diffpy.utils-3.6.0rc4.dist-info → diffpy_utils-3.6.1.dist-info}/WHEEL +1 -1
- diffpy.utils-3.6.0rc4.dist-info/RECORD +0 -21
- {diffpy.utils-3.6.0rc4.dist-info → diffpy_utils-3.6.1.dist-info/licenses}/AUTHORS.rst +0 -0
- {diffpy.utils-3.6.0rc4.dist-info → diffpy_utils-3.6.1.dist-info/licenses}/LICENSE.rst +0 -0
- {diffpy.utils-3.6.0rc4.dist-info → diffpy_utils-3.6.1.dist-info/licenses}/LICENSE_DANSE.txt +0 -0
- {diffpy.utils-3.6.0rc4.dist-info → diffpy_utils-3.6.1.dist-info}/top_level.txt +0 -0
diffpy/utils/wx/gridutils.py
CHANGED
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@@ -26,7 +26,9 @@ def getSelectionRows(grid):
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rset.update(grid.GetSelectedRows())
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for r, c in grid.GetSelectedCells():
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rset.add(r)
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blocks = zip(
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blocks = zip(
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grid.GetSelectionBlockTopLeft(), grid.GetSelectionBlockBottomRight()
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)
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for tl, br in blocks:
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rset.update(range(tl[0], br[0] + 1))
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rv = sorted(rset)
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cset.update(grid.GetSelectedCols())
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for r, c in grid.GetSelectedCells():
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cset.add(c)
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blocks = zip(
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blocks = zip(
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grid.GetSelectionBlockTopLeft(), grid.GetSelectionBlockBottomRight()
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)
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for tl, br in blocks:
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cset.update(range(tl[1], br[1] + 1))
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rv = sorted(cset)
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rcset.update(zip(cols * [r], allcols))
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for c in grid.GetSelectedCols():
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rcset.update(zip(allrows, rows * [c]))
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blocks = zip(
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blocks = zip(
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grid.GetSelectionBlockTopLeft(), grid.GetSelectionBlockBottomRight()
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)
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for tl, br in blocks:
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brows = range(tl[0], br[0] + 1)
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bcols = range(tl[1], br[1] + 1)
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@@ -1,9 +1,9 @@
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Metadata-Version: 2.
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Metadata-Version: 2.4
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Name: diffpy.utils
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Version: 3.6.
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Summary:
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Author-email:
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Maintainer-email:
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Version: 3.6.1
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Summary: General utilities for analyzing diffraction data
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Author-email: Simon Billinge <sb2896@columbia.edu>
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Maintainer-email: Simon Billinge <sb2896@columbia.edu>
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Project-URL: Homepage, https://github.com/diffpy/diffpy.utils/
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Project-URL: Issues, https://github.com/diffpy/diffpy.utils/issues/
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Keywords: text data parsers,wx grid,diffraction objects
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Requires-Dist: numpy
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Requires-Dist: xraydb
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Requires-Dist: scipy
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Dynamic: license-file
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|Icon| |title|_
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===============
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:target: https://diffpy.github.io/diffpy.utils
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:height: 100px
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|PyPI| |Forge| |PythonVersion| |PR|
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.. |PR| image:: https://img.shields.io/badge/PR-Welcome-29ab47ff
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.. |
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.. |PyPI| image:: https://img.shields.io/pypi/v/diffpy.utils
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:target: https://pypi.org/project/diffpy.utils/
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.. |PythonVersion| image:: https://img.shields.io/pypi/pyversions/diffpy.utils
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diffpy.utils Package
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========================================================================
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General
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General utilities for analyzing diffraction data
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The diffpy.utils package provides a number of functions and classes designed to help
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researchers analyze their diffraction data. It also includes some functionality for
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carrying out PDF analysis. Examples are parsers for reading common format diffraction
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data files, ``DiffractionObjects`` that allow you to do algebra on diffraction patterns,
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tools for better capture and propagation of metadata,
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diffraction-friendly interpolation routines, as well as some other tools used across
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diffpy libraries.
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The diffpy.utils package provides functions for extracting array data from
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variously formatted text files, an interpolation function based on the
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Whittaker-Shannon formula that can be used to resample a PDF or other profile
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function over a new grid, `DiffractionObject` for conveniently manipulating
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diffraction data, and some wx GUI utilities used by the PDFgui
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program.
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Citation
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--------
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Improvements and fixes are always appreciated.
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Before contributing, please read our `Code of Conduct <https://github.com/diffpy/diffpy.utils/blob/main/
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Before contributing, please read our `Code of Conduct <https://github.com/diffpy/diffpy.utils/blob/main/CODE-OF-CONDUCT.rst>`_.
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Contact
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-------
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For more information on diffpy.utils please visit the project `web-page <https://diffpy.github.io/>`_ or email
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For more information on diffpy.utils please visit the project `web-page <https://diffpy.github.io/>`_ or email Simon Billinge at sb2896@columbia.edu.
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Acknowledgements
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----------------
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``diffpy.utils`` is built and maintained with `scikit-package <https://scikit-package.github.io/scikit-package/>`_.
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diffpy/__init__.py,sha256=PLQx_UmkmhCTu5bPeYdp9nQBx-OJGP0s4Pz-lLQhKsU,926
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diffpy/utils/__init__.py,sha256=CtxZ5VpVDjhWlvoGLIEjkBGtXn1Pnb4lrdhpIfzmYYc,704
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diffpy/utils/diffraction_objects.py,sha256=Qj3ka5DE-XswAo1jI3FhRYwyFrfCOWvkhBhrcBdrgj8,23294
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diffpy/utils/resampler.py,sha256=7M5VfH9Wddpy4j3SzSiCp1txUQwLPfwC1GcdYLdjyzE,5948
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diffpy/utils/tools.py,sha256=rAxjUrcnkQReT6uSu2X7GzqqLiEsaNArKkr-cfdkCTA,15161
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diffpy/utils/transforms.py,sha256=FW8vJB8Ft8TM4_vwRPMwTLZBiTxgZnLn9sbW8Nz0Ef4,6145
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diffpy/utils/validators.py,sha256=JOtQBXbmke4ShMrBKy3-Ia1rc_0qrDBJ6gf66-9ukgA,901
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diffpy/utils/version.py,sha256=b4ZYUji9mSEb7KDhiqdJoM17rJ9mQ9IJA21joYoCvtE,825
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diffpy/utils/parsers/__init__.py,sha256=nfOvZXjWN0nx4Yqt6BYspqdXjTeBLJcsm5X2-3SMhb4,612
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diffpy/utils/parsers/custom_exceptions.py,sha256=aWFm1AJA_3dprNeBxb_SfQ7Mw2s3ENdzxxCy3QiZM5c,1737
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diffpy/utils/parsers/loaddata.py,sha256=YQ7bAMHx0sGuE123BYNpg8npfruNEd4P8ZBma7Jmr48,13257
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diffpy/utils/parsers/serialization.py,sha256=6huTN8R4zkF2V30DeQxs-knHn7ZwotKaVN5kaEM-h9c,6851
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diffpy/utils/wx/__init__.py,sha256=dyVlLVVqqn3pBhCTyWr3zvvIcmQjqzUCOjWAaZ2lkX4,586
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diffpy/utils/wx/gridutils.py,sha256=940h1kN5yClQwLrWLhQ6QlBvf7hVHBLqOfaDJ2QZZoc,5158
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diffpy_utils-3.6.1.dist-info/licenses/AUTHORS.rst,sha256=vSJE4eFlrvgzwe0UiB5nnuqWVi7HO1aTzavOgqH1ngE,181
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diffpy_utils-3.6.1.dist-info/licenses/LICENSE.rst,sha256=Fic68qk6_MHLTR4fTua4ufK3iZH7ioQJ0x9STJAjkyk,6011
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diffpy_utils-3.6.1.dist-info/licenses/LICENSE_DANSE.txt,sha256=mPt7YHs0xQgff18u_MPvAFqHRTTF0x9ecqubGy6Fxjs,2160
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diffpy_utils-3.6.1.dist-info/METADATA,sha256=UF8qxsMgequMN1cNxXZLvxENwfaon8FqEdZ83Q4TWa8,7560
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diffpy_utils-3.6.1.dist-info/WHEEL,sha256=_zCd3N1l69ArxyTb8rzEoP9TpbYXkqRFSNOD5OuxnTs,91
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diffpy_utils-3.6.1.dist-info/top_level.txt,sha256=34qLZyi9mxikpHepVDTMHrrNbe8VoOuz3ShYeiWA7KA,7
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diffpy_utils-3.6.1.dist-info/RECORD,,
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diffpy/__init__.py,sha256=PLQx_UmkmhCTu5bPeYdp9nQBx-OJGP0s4Pz-lLQhKsU,926
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diffpy/utils/__init__.py,sha256=kI_cDXp3KPVxViASICDaARnjQQWkngn1qpdqizxXXdA,700
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diffpy/utils/diffraction_objects.py,sha256=ex2u_jI_85hIRFfj-UHqHetEbJON8q0aefPR2v2OKks,22323
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diffpy/utils/resampler.py,sha256=2GH0tcIauv6tuc0WHi8HGPEsB9UBtcrd1UF1hVf5dQo,5874
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diffpy/utils/tools.py,sha256=2K9vwPIrJGfS--EA8M9J3oDBar5e7m-pRVDsY2EpfQc,14606
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diffpy/utils/transforms.py,sha256=ubpVDXKG172bIBWBuYLEpny_dUmnYvtDI1U6EWPC-DI,6094
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diffpy/utils/validators.py,sha256=GxJlKmt3GjwuF3UZDeTpanuQcbTpFSIejwMpvTmGdqc,897
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diffpy/utils/version.py,sha256=jWqULCROBeENcph55cKIeMJ9nHFNBo2s_gdH6fKwwnw,821
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diffpy/utils/parsers/__init__.py,sha256=nfOvZXjWN0nx4Yqt6BYspqdXjTeBLJcsm5X2-3SMhb4,612
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diffpy/utils/parsers/custom_exceptions.py,sha256=bouYrFfxcTDqH6uC2u-97EkoHo9FNLi629M_kvBcUt0,1705
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diffpy/utils/parsers/loaddata.py,sha256=3in-OIz3fXa9Sny9dvEUH5mQ9VOwxkEPwlqfC20dh1o,12847
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diffpy/utils/parsers/serialization.py,sha256=euhi_hotaM2C3MjLqAgMSlKspveEtzDPuH7Ac4FueL0,6611
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diffpy/utils/wx/__init__.py,sha256=dyVlLVVqqn3pBhCTyWr3zvvIcmQjqzUCOjWAaZ2lkX4,586
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diffpy/utils/wx/gridutils.py,sha256=V05pEsFbzqF80cbTxyso4YedfQDIYi9KrUaEViG6R0w,5116
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diffpy.utils-3.6.0rc4.dist-info/AUTHORS.rst,sha256=vSJE4eFlrvgzwe0UiB5nnuqWVi7HO1aTzavOgqH1ngE,181
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diffpy.utils-3.6.0rc4.dist-info/LICENSE.rst,sha256=Fic68qk6_MHLTR4fTua4ufK3iZH7ioQJ0x9STJAjkyk,6011
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diffpy.utils-3.6.0rc4.dist-info/LICENSE_DANSE.txt,sha256=mPt7YHs0xQgff18u_MPvAFqHRTTF0x9ecqubGy6Fxjs,2160
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diffpy.utils-3.6.0rc4.dist-info/METADATA,sha256=bXUUXBA0iIBaPIkBgmn-PewR9WGVZ_A0MzMC1gLTodk,7297
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diffpy.utils-3.6.0rc4.dist-info/WHEEL,sha256=PZUExdf71Ui_so67QXpySuHtCi3-J3wvF4ORK6k_S8U,91
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diffpy.utils-3.6.0rc4.dist-info/top_level.txt,sha256=34qLZyi9mxikpHepVDTMHrrNbe8VoOuz3ShYeiWA7KA,7
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diffpy.utils-3.6.0rc4.dist-info/RECORD,,
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