NMR and MS Data for Delayed Decoupling in Editing Filters

1D and 2D isotope filtered NMR data, including raw data, acquisition parameters, and processing scripts, supports the publication "Using delayed decoupling to attenuate residual signals in editing filters". The folder also contains Matlab code for simulating delayed decoupling principles and raw MALDI-TOF MS data. Author Kenneth A. Marincin from Johns Hopkins University deposited these materials, which are associated with the DOI 10.5194/mr-2021-24.

Use Cases

• Simulating delayed decoupling principles based on the included Matlab code.
• Reproducing 2D isotope filtered TOCSY experiments based on the provided NMRPipe processing scripts.
• Analyzing raw MALDI-TOF MS data included in the deposit.
• Validating NMR acquisition and processing parameters against the published results.
• Developing new pulse programs based on the final pulse program files provided.

Strengths

• Includes both raw and processed NMR data, allowing for full reproducibility.
• Contains the specific Matlab simulation code used in the associated publication.
• Provides the final pulse programs and NMRPipe scripts used for 2D isotope filtered TOCSY data.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• Last update date is unknown; freshness unverified.

Provenance

Source

Kenneth A. Marincin, Johns Hopkins University

Collection Method

Data and code generated for and used in the associated scientific publication.