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

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Józef R. Lewandowski , Jacqueline Tognetti , W. Trent Franks ·

YOU? · · 2022 · Open Access · · DOI: https://doi.org/10.5281/zenodo.7110736

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.

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Dice Measure (data warehouse) Nested set model Computer science Data mining Mathematics Statistics Relational database

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Type: dataset
Language: en
Landing Page: https://doi.org/10.5281/zenodo.7110736
OA Status: green
Related Works: 10
OpenAlex ID: https://openalex.org/W4393692393

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DOI: https://doi.org/10.5281/zenodo.7110736

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

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Language: en

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Publication year: 2022

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Publication date: 2022-02-03

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Authors: Józef R. Lewandowski, Jacqueline Tognetti, W. Trent Franks

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Landing page: https://doi.org/10.5281/zenodo.7110736

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Concepts: Dice, Measure (data warehouse), Nested set model, Computer science, Data mining, Mathematics, Statistics, Relational database

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