Add DOI to the source paper.

Clarify data files are in a text format.

README.md

@@ -6,10 +6,11 @@ This folder contains X-ray total scattering data described in the paper
 Polymorphism in magic sized Au144(SR)60 clusters,
 Kirsten M. Ø. Jensen, Pavol Juhás, Marcus A. Tofanelli,
 Christine L. Heinecke, Gavin Vaughan, Christopher J. Ackerson,
-and Simon J. L. Billinge
+and Simon J. L. Billinge, *Nature Communications*, 2016,
+http://dx.doi.org/10.1038/ncomms11859.
 
-to be published in Nature Communications, 2016.  The samples, data
-acquisition and data reduction processes are described in detail therein.
+The samples, data acquisition and data reduction processes are described
+in detail therein.
 
 This folder contains the following data files:
 
@@ -29,13 +30,13 @@ These datasets were measured from 5 different samples Au144(PET)60,
 Au144(SC4)60, Au144(SC6)60, Au144(SC12)60 and Au144(pMBA)60, as stated in the
 file names.  All scattering data were measured at 100 K.  The first 4 datasets
 were obtained at the 11-ID-B beamline of the Advanced Photon Source (APS),
-with a wavelength of 0.143 Å.  The data are provided as integrated total
-scattering intensities versus Q [1/nm] in .chi files and as reduced pair
-distribution functions (PDF-s) in .gr files.  The data in Kapton_APS.chi are
-background scattering intensities to be used with the APS data.  The last
-dataset, Au144pMBA_100K_ESRF, was obtained at the European Synchrotron
-Radiation Facility (ESRF) beamline ID11 using X-ray wavelength of 0.177 Å.
-Here, the background has already been subtracted.
+with a wavelength of 0.143 Å.  The data are provided in plain text format
+as integrated total scattering intensities versus Q [1/nm] in .chi files and
+as reduced pair distribution functions (PDF-s) in .gr files.  The data in
+Kapton_APS.chi are background scattering intensities to be used with the APS
+data.  The last dataset, Au144pMBA_100K_ESRF, was obtained at the European
+Synchrotron Radiation Facility (ESRF) beamline ID11 using X-ray wavelength of
+0.177 Å.  Here, the background has already been subtracted.
 
 Please contact Prof. Simon J. L. Billinge [email protected] from
 Columbia University for any questions regarding the data and their use.