This Cu(pyz)(NO3)2 High Pressurereadme.txt file was generated on [20191007] by [K. R. O'Neal]


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GENERAL INFORMATION
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1. Title of Dataset 
Cu(pyz)(NO3)2 High Pressure

2. Author Information


  Principal Investigator Contact Information
        Name: J. L. Musfeldt
           Institution: University of Tennessee
           Address: 1416 Circle Drive
		    Knoxville, TN 37996-1600
           Email: musfeldt@utk.edu


  Associate or Co-investigator Contact Information
        Name:
           Institution:
           Address:
           Email:


  Alternate Contact Information
           Name:
           Institution:
           Address:
           Email:


3. Date of data collection (single date, range, approximate date) <suggested format YYYYMMDD>
2015-2016

4. Geographic location of data collection (where was data collected?): 
NSLS, Brookhaven National Lab, Brookhaven, NY

5. Information about funding sources that supported the collection of the data:
This research is funded by the National Science Foundation (DMR-1063880) and the Petroleum Research Fund (52052-ND10). The National Synchrotron Light Source at Brookhaven National Laboratory is supported by the U.S. Department of Energy under Contracts DE-AC98-06CH10886 and DE-FG02-96ER45579. The use of U2A beamline is funded by COMPRES under NSF Cooperative Agreement EAR 11-57758 and CDAC (DE-FC03-03N00144). Resources of the National Energy Research Scientific Computing Center supported by the Office of Science of the U.S. Department of Energy under Contract DE-AC02-05CH11231 are also acknowledged.



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SHARING/ACCESS INFORMATION
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1. Licenses/restrictions placed on the data:
None

2. Links to publications that cite or use the data:
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.104409

3. Links to other publicly accessible locations of the data:
N/A

4. Links/relationships to ancillary data sets:
N/A

5. Was data derived from another source? No
           If yes, list source(s):


6. Recommended citation for the data:
K. R. O’Neal, J. Zhou, J. G. Cherian, M. M. Turnbull, C. P. Landee, P. Jena, Z. Liu, and J. L. Musfeldt, Pressure-induced structural transition in copper pyrazine dinitrate and implications for quantum magnetism. Phys. Rev. B 93, 104409 (2016).



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DATA & FILE OVERVIEW
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1. File List
   A. Filename:        Cu(pyz)(NO3)2 High Pressure.opj
      Short description:        Infrared and Raman spectra of Cu(pyz)(NO3)2 take at high pressures or magnetic fields, and calculated energies of various structural phases.


        
   B. Filename:        
      Short description:        


        
   C. Filename:        
      Short description:


2. Relationship between files:        N/A




3. Additional related data collected that was not included in the current data package: N/A




4. Are there multiple versions of the dataset? No
   If yes, list versions:
           Name of file that was updated:
                     i. Why was the file updated? 
                ii. When was the file updated?
           Name of file that was updated:
                      i. Why was the file updated?
                    ii. When was the file updated?






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METHODOLOGICAL INFORMATION
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1. Description of methods used for collection/generation of data: 
See the methods section in
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.104409


2. Methods for processing the data: Peak positions were tracked as a function of pressure using a standard Lorentzian profile in PeakFit.


3. Instrument- or software-specific information needed to interpret the data: Origin


4. Standards and calibration information, if appropriate: N/A


5. Environmental/experimental conditions: Sample loaded inside diamond anvil cell with appropriate pressure medium.


6. Describe any quality-assurance procedures performed on the data: N/A


7. People involved with sample collection, processing, analysis and/or submission:
K. R. O'Neal, J. Cherian, J. L. Musfeldt, J. Zhou, P. Jena, Z. Liu





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DATA-SPECIFIC INFORMATION FOR: [FILENAME]
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<create sections for each dataset (or file if appropriate) included>


1. Number of variables:


2. Number of cases/rows: 


3. Variable List
    A. Name: [variable name]
       Description: [description of the variable]
                    Value labels if appropriate



    B. Name: [variable name]
       Description: [description of the variable]
                    Value labels if appropriate



4. Missing data codes:
        Code/symbol        Definition
        Code/symbol        Definition


5. Specialized formats of other abbreviations used