Evidence map›Paper›PMID 29414064›Full record

ArticleJournal of magnetic resonance (San Diego, Calif. : 1997)2018

Optimal Tikhonov regularization for DEER spectroscopy.

Thomas H Edwards, Stefan Stoll

Abstract read
In one paragraph

Article in Journal of magnetic resonance (San Diego, Calif. : 1997), 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 29 papers.

0numbers the graph read from it
0cells of the map it votes in
29citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

29 citing papers in PubMed.

  1. Article
  2. Protein Modeling with DEER Spectroscopy.Annual review of biophysics · 2025
    Review
  3. Rapid Analysis of DEER Signals Including Short Distances.The journal of physical chemistry letters · 2025
    Article
  4. Article
  5. Article
  6. Review
  7. Article
  8. Article
  9. Article
  10. Article
  11. Quantifying methyl tunneling induced (de)coherence of nitroxides in glassyPhysical chemistry chemical physics : PCCP · 2023
    Article
  12. Article
  13. Article
  14. Article
  15. Review
  16. DEER Data Analysis Software: A Comparative Guide.Frontiers in molecular biosciences · 2022
    Article
  17. Article
  18. Article
  19. Article
  20. Article
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

2 authors.

Thomas H EdwardsDepartment of Chemistry, University of Washington, Seattle, WA 98103, United States. Electronic address: edwardst@uw.edu.
Stefan StollDepartment of Chemistry, University of Washington, Seattle, WA 98103, United States. Electronic address: stst@uw.edu.

Funding

TRAINING IN MOLECULAR BIOPHYSICST32GM008268 · NIGMS · UNIVERSITY OF WASHINGTON · PI KOLLMAN, JUSTIN M, ZHENG, NING · 1988 to 2023
$8.6M
GATING MECHANISMS OF RETINAL ROD CGMP-ACTIVATED CHANNELSR01EY010329 · NEI · UNIVERSITY OF WASHINGTON · PI ZAGOTTA, WILLIAM N · 1994 to 2023
$7.7M
High-sensitivity upgrade of DEER/EPR spectrometerS10OD021557 · OD · UNIVERSITY OF WASHINGTON · PI STOLL, STEFAN · 2017 to 2017
$495k
NEI NIH HHS R01 EY010329NIGMS NIH HHS T32 GM008268NIH HHS S10 OD021557
6 · The paper itself

Abstract

Tikhonov regularization is the most commonly used method for extracting distance distributions from experimental double electron-electron resonance (DEER) spectroscopy data. This method requires the selection of a regularization parameter, α, and a regularization operator, L. We analyze the performance of a large set of α selection methods and several regularization operators, using a test set of over half a million synthetic noisy DEER traces. These are generated from distance distributions obtained from in silico double labeling of a protein crystal structure of T4 lysozyme with the spin label MTSSL. We compare the methods and operators based on their ability to recover the model distance distributions from the noisy time traces. The results indicate that several α selection methods perform quite well, among them the Akaike information criterion and the generalized cross validation method with either the first- or second-derivative operator. They perform significantly better than currently utilized L-curve methods.

Indexed as

DEERInverse problemPELDORPenalized least-squaresTikhonov regularization

Identifiers

PMID29414064
PMCPMC5840305

What OpenQuestion holds

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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.