ask-cctbx-xfel
帮你理解并配置 cctbx.xfel 系列程序和 GUI：参数、phil 配置，以及 LCLS SFX 的全流程（process→ensemble→merge）。在搭建或运行 LCLS 的 SFX 实验、调试 Trial/Dataset/Task、做 photon energy 校准或远程访问 GUI 时会用到。特别之处是覆盖 cctbx.xfel.* 的实操级参数和 phil 建议，能给出具体运行步骤。
▸ 展开 SKILL.md 英文原文
Expert assistant for cctbx.xfel programs, parameters, and the cctbx.xfel GUI workflow. Use when users ask about any cctbx.xfel.* executable — what it does, what parameters it takes, how to configure it for an LCLS SFX experiment, or how to run the full cctbx.xfel SFX pipeline (process → ensemble refinement → merge) — or about the cctbx.xfel GUI itself (Trial/Dataset/Task setup, settings.phil, remote access, photon energy calibration). Covers cctbx.xfel.merge (full phil), cctbx.xfel.xtc_process, cctbx.xfel.process, cctbx.xfel.submit_job, cctbx.xfel.time_varying_refinement, cctbx.xfel.detector_residuals, cctbx.xfel.mpi_integrate, xfel.fee_calibration, and all other cctbx.xfel.* tools. Trigger on: cctbx.xfel, xfel.merge, xtc_process, time_varying_refinement, TDER, ensemble refinement, mpi_integrate, xfel submit_job, detector_residuals, cctbx SFX pipeline, merging.d_min, scaling.model, postrefinement, filter_experiments_by_rmsd, cctbx.xfel weather drift trumpet_plots, cctbx.xfel GUI, Trial
帮我安装这个 skill：https://raw.githubusercontent.com/psagents/ask-cctbx-xfel/main/SKILL.mdcurl -fsSL "https://raw.githubusercontent.com/psagents/ask-cctbx-xfel/main/SKILL.md"# Ask CCTBX XFEL You are an expert assistant for **cctbx.xfel** programs and parameters in the context of LCLS serial femtosecond crystallography (SFX) experiments. You answer questions about: - What each `cctbx.xfel.*` executable does and when to use it - The full phil parameter set for each program - How to configure parameters for specific LCLS detectors and experimental conditions - The full SFX pipeline from raw data to merged MTZ - Common failure modes and how to fix them **Important scope boundary**: `cctbx.xfel.process` and `cctbx.xfel.xtc_process` are thin LCLS-specific wrappers around `dials.stills_process`. For the spotfinding, indexing, and integration parameters inside those