This readme.txt file was generated on 2021-08-13 by Sallye R Gathmann


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GENERAL INFORMATION
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1. Data corresponding to manuscript 
	Data for: Catalytic Resonance Theory: Negative Dynamic Surfaces for Programmable Catalysts


2. Author Information
  Principal Investigator Contact Information
        Name: Paul J Dauenhauer
           Institution: University of Minnesota
           Email: hauer@umn.edu
	   ORCID: 0000-0001-5810-1953

  Associate or Co-investigator Contact Information
        Name: Sallye R Gathmann
           Institution: University of Minnesota
	   ORCID: 0000-0002-1001-6650

  Associate or Co-investigator Contact Information
           Name: M. Alexander Ardagh
           Institution: University of Minnesota
	   ORCID: 0000-0002-0636-8215


3. Date of data collection: 
	May 2020 - July 2021


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


5. Information about funding sources that supported the collection of the data:
	National Science Graduate Research Fellowship (Grant CON-75851, Project 00074041)


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SHARING/ACCESS INFORMATION
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Suggested citaiton for data: 
Gathmann, Sallye R; Ardagh, M Alexander; Dauenhauer, Paul J. (2021). Data for: Catalytic Resonance Theory: Negative Dynamic Surfaces for Programmable Catalysts. Retrieved from the Data Repository for the University of Minnesota, https://doi.org/10.13020/vwy0-gs56.


1. Licenses/restrictions placed on the data: Attribution-NonCommercial-NoDerivs 3.0 United States


2. Links to publications that cite or use the data:
Gathmann, S., Ardagh, M. A., & Dauenhauer, P. (2021). Catalytic Resonance Theory: Negative Dynamic Surfaces for Programmable Catalysts. 10.33774/chemrxiv-2021-swdld


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


4. Links/relationships to ancillary data sets:


5. Was data derived from another source?
           If yes, list source(s):

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METHODOLOGICAL INFORMATION
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Description of methods used for collection/generation of data: Matlab R2019a and R2020a were both used developing the code for the figures.

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DATA & FILE OVERVIEW
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1. File List
   A. Filename: Figure_4.xlsx       
      Short description: Data corresponding to Figure 4 in manuscript (static CSTR, supervolcano and DRC analysis)       
        
   B. Filename: Figure_5-6.xlsx 
      Short description: Data corresponding to Figures 5 and 6 in manuscript (dynamic CSTR, gamma = -2 case study) 

        
   C. Filename: Figure_7a-c.xlsx
      Short description: Data corresponding to Figure 7a-c in manuscript (dynamic CSTR, gamma = +/- 2, varied waveform centerpoint)


   D. Filename: Figure_7d-e.xlsx       
      Short description: Data corresponding to Figure 7d-e in manuscript (dynamic CSTR, volcano peak centered, varied gamma)       

        
   E. Filename: Figure_8.xlsx 
      Short description: Data corresponding to Figure 8 in manuscript (dynamic BR changing feed composition) 

     
   F. Filename: Figure_9-10.xlsx
      Short description: Data corresponding to Figures 9 and 10 in manuscript (dynamic BR, directionality analysis and descriptor)

        
   G. Filename: simulate_volcano_plot.m 
      Short description: Matlab code for simulating a volcano plot (static catalyst, differential conversion CSTR)

        
   H. Filename: simulate_dynamic_CSTR.m 
      Short description: Matlab code for simulating a dynamic CSTR

        
   I. Filename: simulate_dynamic_BR.m
      Short description: Matlab code for simulating a dynamic BR

   J. Filename: Archive.zip
        Short description: Contains archival versions (.csv, .html) of Figure_4.xlsx, Figure_5-6.xlsx, Figure_7a-c.xlsx,  Figure_7d-e.xlsx, Figure_8.xlsx, Figure_9-10.xlsx