Dataset Open Access

Supplementary Material for "Model-Free Analysis of Experimental Residual Diploar Couplings in Small Organic Compounds"

Roth, Felix A.; Schmidts, Volker; Rettig, Jan; Thiele, Christina M.

NMR Spectra (CLIP-HSQC, perfectCLIP-HSQC, TSE-PSYCHEDELIC) of isopinocampheol in six alignment conditions.

Simulation input (experimental RDC data in six alignment media, input geometries, keywords) and output files (simulation / geometry trajectories, alignment data, SECONDA analysis) for isopinocampheol runs with the TITANIA software.

Files (737.7 MB)
Name Size
NMRspectra.zip
md5:4d52e52f478cad496a5760bf8b6e2310 		682.8 MB Download
TITANIAdata.zip
md5:6fc192c754272931b5b31b9ac171b826 		55.0 MB Download
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Publication date:
November 7, 2021
DOI:
10.5281/zenodo.5636052

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10.5281/zenodo.5636052

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Keyword(s):
NMR Residual Dipolar Couplings
License (for files):
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