MxDC & MxLIVE:Software for Macromolecular Crystallography Experiments at the CLS
Bibliographic record
Abstract
The Canadian Macromolecular Crystallography Facility (CMCF) is a suite of two beamlines 08ID-1 and 08B1-1. Beamline 08B1-1 is a bending-magnet beamline for high-throughput macromolecular crystallography enabling Multiple-Wavelength Anomalous Dispersion (MAD) and Single-Wavelength Anomalous Dispersion (SAD) experiments with a high level of automation. We have developed an integrated software system with modules for beamline control, experiment management, and automated data processing for both on-side and remote users. The experiment management module, also known as MxLIVE (Macromolecular Crystallography Laboratory Information Virtual Environment) is responsible for managing the storage of information about samples, sample shipments, experiment requests, experiment results and data sets. It provides a web-based interface for users to submit sample information and experiment requests, track shipments en route to the CLS and review experiment results and data sets as they are completed on site, and for beamline staff to manage Mail-In data acquisition sessions, reducing the need for user travel to the synchrotron. The beamline control module includes a user-friendly interface for data collection, MxDC (Macromolecular Crystallography Data Collector). MxDC is fully integrated with beamline hardware as well as software applications such as MxLIVE and AutoProcess, an innovative data processing pipeline. This makes MxDC a hub for all experiment-focused activities at CMCF beamlines, including sample auto-mounting, centering and screening crystals, diffraction experiments, and automated data reduction.
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 imitationNot 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.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.001 | 0.000 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.000 | 0.000 |
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.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one teacher head, not a consensus.
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".