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Record W3139439799 · doi:10.1101/2020.08.21.257170

Serial femtosecond and serial synchrotron crystallography yield data of equivalent quality: a systematic comparison

2020· preprint· en· W3139439799 on OpenAlexaff
P. Mehrabi, Robert Bücker, Gleb Bourenkov, Helen M. Ginn, David von Stetten, Henrike M. Müller‐Werkmeister, Anling Kuo, Takefumi Morizumi, B.T. Eger, Wei‐Lin Ou, Saeed Oghbaey, Antoine Sarracini, Jessica E. Besaw, Olivier Paré-Labrosse, S. Meier, Hendrik Schikora, Friedjof Tellkamp, Alexander Marx, D.A. Sherrell, Danny Axford, Robin L. Owen, Oliver P. Ernst, E.F. Pai, Eike C. Schulz, R. J. Dwayne Miller

Bibliographic record

VenuebioRxiv (Cold Spring Harbor Laboratory) · 2020
Typepreprint
Languageen
FieldMaterials Science
TopicEnzyme Structure and Function
Canadian institutionsCanada Research ChairsUniversity of TorontoOntario Institute for Cancer Research
FundersDeutsches Elektronen-SynchrotronUniversität HamburgDiamond Light Source
KeywordsComparabilityDiffractionSynchrotron radiationFemtosecondQuality (philosophy)CrystallographyX-ray crystallographyMaterials sciencePhaserAnalytical Chemistry (journal)ChemistryOpticsLaserPhysicsMathematicsChromatography

Abstract

fetched live from OpenAlex

Abstract For the two proteins myoglobin (MB) and fluoroacetate dehalogenase (FAcD), we present a systematic comparison of crystallographic diffraction data collected by serial femtosecond (SFX) and serial synchrotron crystallography (SSX). To maximize comparability, we used the same batch of crystals, the same sample delivery device, as well as the same data analysis software. Overall figures of merit indicate that the data of both radiation sources are of equivalent quality. For both proteins reasonable data statistics can be obtained with approximately 5000 room temperature diffraction images irrespective of the radiation source. The direct comparability of SSX and SFX data indicates that diffraction quality is rather linked to the properties of the crystals than to the radiation source. Time-resolved experiments can therefore be conducted at the source that best matches the desired time-resolution.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.019
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0020.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.002
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.063
GPT teacher head0.280
Teacher spread0.217 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

Study designBench or experimental
Domainnot available
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations2
Published2020
Admission routes1
Has abstractyes

Explore more

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