Supporting data for manuscript describing Slice and Dice method to measure NMR relaxation with nested experiments

This is a supporting dataset for the manuscript "Slice and Dice: Nested Spin-lattice Relaxation Measurements" by W. Trent Franks, Jacqueline Tognetti and Józef R. Lewandowski.

• NMR_data.zip : Raw NMR data in the Bruker format for the experiments presented in the manuscript. The file expands to a directory called "Raw NMR Data" that contains:
  • ReadMe_NMR_data.txt - describing the datasets included in the file.
  • Record 1: ¹³C^{\(^\alpha\)} individual experiment. Pulse program name: hRCH_CT1
  • Record 2: ¹³C' individual experiment. Pulse program name: hCOcaH_SP_T1
  • Record 3: ¹⁵N individual experiment. Pulse program name: hRNH_NT1b
  • Record 10: ¹³C\(^\alpha\) + ¹³C' + ¹⁵N Slice & Dice experiment. Pulse program name: hR[COca,Ca,N]Ha_T10818 corresponding to the final sequence: hR[N,COca,Ca]HR_T1
• Pulse_program.zip: The pulse program and include file for the Slice and Dice experiment described in the manuscript. The pulse program in Bruker format (war.hR[COca,Ca,N]H_T1 - this is a text file that can be opened with any text editor) was tested on a Bruker Avance III HD console. Both the pulse program file, war.hR[COca,Ca,N]H_T1, and include file, HCN_defs.incl, need to be placed in the pulse program directory (/opt/topspinXX/exp/stan/nmr/lists/pp/user where XX is replaced with the version of Topspin). The file expands to a directory "Pulse_program_incl" that contains:
  • war.hR[COca,Ca,N]H_T1 - pulse program
  • HCN_defs.incl - include file
  • ReadMe_SliceDice_pp.txt - details on how to set up the experiment.
• HowToProcessSliceAndDice.pdf : Instructions on how to process Slice and Dice experiment in Topspin.
• MultiR1list.zip: A program written in Python 3 required to calculate delay lists for the nested experiment to be included in the pulse program. The file expands to a directory MultiT1list directory that contains:
  • MultiT1list.py - the program
  • ReadMe_MultiT1list.txt - instructions on how to use the program
• SNDProcguide.py.zip: A program written in Python 2 (SNDProcguideV2.py), which generates macro for processing and sorting 2D planes in Topspin. The script also provides some tips on setting parameters for different 2Ds and sorted lists of relaxation delays. Example output of the script is also included. The parameters in the script are set for the supplied example data.
• HowToProcessSliceAndDice.mp4 - a video working through an example of processing Slice and Dice data.