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GENERAL INFORMATION
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1. Title of Dataset 
   
   Diffraction patterns, elemental microanalysis values, infrared spectra and thermogravimetric plots of metformin dihydrochloride
   
2. Author Information


  Principal Investigator Contact Information
        Name: Dr Paul Saines
           Institution: University of Kent
           Address: Chemistry and Forensic Science, School of Natural Sciences, University of Kent, Canterbury, Kent, CT2 7NH
           Email: P.Saines@kent.ac.uk


  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>

   20230101-20240901

4. Geographic location of data collection (where was data collected?): 

   Ingram Building, University of Kent, Canterbury, Kent, CT2 7NH

5. Information about funding sources that supported the collection of the data:

   EPSRC Studentship for Tom Hitchings
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DATA & FILE OVERVIEW
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1. File List
   A. Filename: IR_MFHCl_reagent1.txt       
      Short description: Text file containing infrared spectra of alpha metformin hydrochloride
   B. Filename: IR_MFHCl2_1.txt      
      Short description: Text file containing infrared spectra of metformin dihydrochloride
   C. Filename: Microanalysis_calculation.xlsx       
      Short description: Excel spreadsheet containing elemental microanalysis data and calculations of expected weight fractions in metformin hydrochloride and metformin dihydrochloride
   D. Filename:PXRD_MFHCl2.opju
      Short description: Microcal Origin file containing powder diffraction pattern and fit to MFHCl2.
   E. Filename: TGA_TH_MFHCl.csv      
      Short description: A comma separated text file with combined thermogravimetric and differential scanning calorimetry data for metformin hydrochloride
   F. Filename: TGA_TH_MFHCl2.csv      
      Short description: A comma separated text file with combined thermogravimetric and differential scanning calorimetry data for metformin dihydrochloride
   G. Filename: Metformin_Dihydrochloride.cif     
      Short description: Crystallographic information file containing hkl intensities and model of the crystal structure of metformin dihydrochloride
      
2. Relationship between files:        

  Data collected on metformin dihydrochloride sample and, for comparison, alpha metformin hydrochloride.


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




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: 
<Include links or references to publications or other documentation containing experimental design or protocols used in data collection>


2. Methods for processing the data: <describe how the submitted data were generated from the raw or collected data>


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


4. Standards and calibration information, if appropriate:


5. Environmental/experimental conditions:


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


7. People involved with sample collection, processing, analysis and/or submission:






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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