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NMR Spectrometers: Resolution and Error Correction01:14

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When magnetic nuclei in a sample achieve resonance and undergo relaxation, the signal detected in NMR is an approximately exponential free induction decay. Fourier transform of an exponential decay yields a Lorentzian peak in the frequency domain. Lorentzian peaks in an NMR spectrum are defined by their amplitude, full width at half maximum, and position, where the peak width is governed by the spin-spin relaxation time alone. In real experiments, however, the applied magnetic field is rendered...
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Updated: Apr 4, 2026

A Robust Single-Particle Cryo-Electron Microscopy cryo-EM Processing Workflow with cryoSPARC, RELION, and Scipion
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Variable Resolution Maps (VRM) in CCTBX and Phenix: Accounting For Local Resolution In cryoEM.

Pavel V Afonine1, Paul D Adams1,2, Alexandre G Urzhumtsev3,4

  • 1Molecular Biophysics & Integrated Bioimaging Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720-8235, USA.

Biorxiv : the Preprint Server for Biology
|April 3, 2026
PubMed
Summary
This summary is machine-generated.

New tools in CCTBX and Phenix enable variable-resolution map calculation for structural studies. This method accurately incorporates local resolution, improving atomic model fitting to experimental data in crystallography and cryo-electron microscopy.

Keywords:
Fourier ripplesVariable resolution mapsanalytic approximationsatomic imagesfinite resolutionrefinement

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Area of Science:

  • Structural biology
  • Biophysical chemistry
  • Computational crystallography

Background:

  • Density map calculation is crucial for structural studies in crystallography and cryo-electron microscopy (cryoEM).
  • Accurate comparison of calculated and experimental maps is challenging due to varying resolution in cryoEM data.
  • Existing methods often use uniform resolution or simplified functions, not fully accounting for local resolution variations.

Purpose of the Study:

  • To implement a novel method for computing atomic model density maps that accounts for local resolution.
  • To enhance the accuracy of fitting atomic models to experimental structural data.
  • To integrate this method into widely used software packages, CCTBX and Phenix.

Main Methods:

  • Implementation of a new method for calculating variable-resolution maps based on analytic functions of atomic parameters.
  • Incorporation of local resolution information directly into the map calculation process.
  • Integration of the method into the CCTBX computational library and the Phenix software suite.

Main Results:

  • Development of tools within CCTBX and Phenix for calculating variable-resolution density maps.
  • The new method accurately represents local resolution variations across the map.
  • Analytically differentiable functions are used, enabling improved model parameterization and refinement.

Conclusions:

  • The implemented method provides a more accurate representation of atomic models in the context of experimental data, especially for cryoEM.
  • This advancement facilitates more precise atomic model building, refinement, and validation in structural studies.
  • The availability in CCTBX and Phenix makes this advanced capability accessible to the structural biology community.