Directory Structure
Upon logging into the FTP, you will find the following directory structure and files (PX)
/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.mtz’ and ‘aimless.log’ to move solve your structure with the autoprocessed stats, as well as intermediate files for (XDS and pointless) files for quick reprocessing.
The /frames directory contains the raw images required to manually reprocess your data.
The ‘datasets_summary.xlsx’ and ‘EPN.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:
Example Filename:
ASP0179_01_0107_20241003-121816_process
Breakdown:
ASP0179= Australian Synchrotron Puck Number
This represents the specific puck number used at the Australian Synchrotron for the sample.01= Pin Position (1-16)
This indicates the position of the sample pin on the puck (values range from 1 to 16).0107= Run Number or Numbered Collection for the Experiment
This is the unique identifier for a particular run or data collection in the experiment.20241003= Date
This represents the date the data was collected, in YYYYMMDD format (e.g.,2024-10-03).121816= Time
This represents the time the data was collected, in HHMMSS format (e.g.,12:18:16).process= Autoprocessed Folder
This tag indicates that the folder contains auto-processed data from the experiment.