...
For first time users, the FTP folder structure is a labyrinth of intimidation. Hopefully, this helpful directory structure can ease the anxiety.
Directory Structure for Protein Crystallography (PX)
Upon logging into the FTP, you will find the following directory structure and files (PX)
| Code Block |
|---|
/data ├── /mx # Main directory for the MX (EPN) data │ ├── /20772a # EPN Number folder (Project/Experiment ID) │ ├── /20772b │ └── /20772c │ ├── /home # Contains auto-processed datasets │ │ ├── /user # User-specific processed data │ │ │ ├── /auto # Auto-processed datasets │ │ │ │ ├── /dataset # Folder for datasets │ │ │ │ │ ├── /ASP0179_01_107 # Autoprocessed Folder │ │ │ │ │ │ ├── /aimless.mtz # Auto-processed MTZ file │ │ │ │ │ │ ├── /aimless.log # Log file for auto-processing │ │ │ │ │ │ ├── /pointless.mtz # pointless file │ │ │ │ │ │ ├── /XDS.INP # XDS input file │ │ │ │ │ │ └── /XDS_ASCII.HKL # XDS processed data │ │ │ │ │ ├── /ASP0179_02 # Another autoprocessed folder │ │ ├── /datasets_summary.xlsx # Spreadsheet with data collection stats │ └── /frames # Contains raw diffraction images │ ├── /user # Raw diffraction images organized by data type │ │ ├── /s # Raw images from screening │ │ │ ├── /ASP0179_01 │ │ │ │ ├── /01 # Screening images for ASP0179 │ │ │ │ │ ├── /ASP0179_01_master.h5 # Raw images │ │ │ │ ├── /02 # Screening images for ASP0179 │ │ │ ├── /ASP0180 │ │ ├── /d # Raw images from datasets │ │ │ ├── /ASP0179 │ │ ├── /r # Raw images from rastering │ │ ├── /testcrystal # Raw images from setup │ │ └── /calibration # Raw images from beamline calibration │ ├── /20772c.xlsx # Spreadsheet with data collection stats |
The /home directory contains the autoprocessed data, including the ‘aimless‘aimless.mtz’ mtz’ and ‘aimless‘aimless.log’ log’ to move solve your structure with the autoprocessed stats, as well as intermediate files for (XDS and pointless) files autoprocessed files. Intermediate processed files (XDS_ASCII.HKL and pointless.mtz) are also available for quick reprocessing.
The /frames directory contains the raw images required to manually reprocess your data.
The ‘datasets‘datasets_summary.xlsx’ xlsx’ and ‘EPN‘EPN.xlsx’ xlsx’ provide a spreadsheet of all screened or collected dataset collection statistics.
Naming Structure
The folder and file names follow a specific syntax that represents various details about the sample and its collection order. For example:
...