[3dem] [EXTERNAL] Review: Linearity and Resolution in X-Ray Crystallography and Electron Microscopy

[Frank, Joachim]

Honestly, he should have waited another 25 years.

I agreed long time ago on the editor’s invitation to write a preface to the book, and when I saw Marin’s chapter, which the editor refused to pull, I had to decline since–everybody will agree with me--a preface is not a place to argue.

--Joachim

From: 3dem <3dem-bounces at ncmir.ucsd.edu> on behalf of Marin van Heel <marin.vanheel at gmail.com>
Date: Monday, October 7, 2024 at 8:06 PM
To: ccpem at jiscmail.ac.uk <ccpem at jiscmail.ac.uk>, CCP4BB at JISCMAIL.AC.UK <CCP4BB at jiscmail.ac.uk>, 3dem <3dem at ncmir.ucsd.edu>
Subject: [EXTERNAL] [3dem] Review: Linearity and Resolution in X-Ray Crystallography and Electron Microscopy
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Dear All,

Sayan Bhakta and I have recently posted the preprint of a review on resolution and linearity which will appear in a book to be launched on the 16th of October 2024.
( https://urldefense.com/v3/__https://doi.org/10.1201/9781003326106__;!!Mih3wA!EC-i2G_F3vNZK_HgRd_CBGfq9VTZcLso8nVlDOx2kIcy4NExVNiKNcIdfcT_nSBtF5OGOiYVs4Xo1f6pnhS_8hOE7A$ <https://urldefense.com/v3/__https:/doi.org/10.1201/9781003326106__;!!Mih3wA!F44gCBIRjLMUiHgQBsKSjAstXLIkztff_SdqKzGSAnFh0Ek7xbt6rsNPO_4Fq9jq9uWuDtimmwfBwVJ2bpRe9E7bEg$> ).
It is the first Cryo-EM review that I have been involved in for 25 years.
In our preparation, I was quite amazed about what other authors wrote (or did not write) in their many reviews on these matters.
For example, I missed any serious discussion about resolution metrics in X-ray crystallography, which technique is fundamentally non-linear.
Linearity is a prerequisite for defining the resolution of any instrument. The iterative refinements applied in X-ray crystallography (and sometimes Cryo-EM) makes that all Phase-residuals and R-factors or fixed threshold values cannot be used to compare the results of independently conducted experiments. What is an obvious consequence of the lack of universality of such metrics like phase-residuals and R-factors, is that they cannot be used outside of the immediate context in which they were defined, like X-ray crystallography or structural biology.  In contrast, the Fourier-Ring-Correlation (FRC); Fourier-Shell-Correlation (FSC) and their recent successors: the Fourier-Ring-Information (FRI) and the Fourier-Shell-Information (FSI), plus their integrated versions, are universal metrics that are applicable to all fields of science where 2D and 3D data are dealt with!

https://urldefense.com/v3/__https://doi.org/10.31219/osf.io/5empt__;!!Mih3wA!EC-i2G_F3vNZK_HgRd_CBGfq9VTZcLso8nVlDOx2kIcy4NExVNiKNcIdfcT_nSBtF5OGOiYVs4Xo1f6pnhQNHPfSMw$ <https://urldefense.com/v3/__https:/doi.org/10.31219/osf.io/5empt__;!!Mih3wA!F44gCBIRjLMUiHgQBsKSjAstXLIkztff_SdqKzGSAnFh0Ek7xbt6rsNPO_4Fq9jq9uWuDtimmwfBwVJ2bpQWf4Wbjg$>

Have fun reading it!

Marin


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