For first time users, the FTP folder structure is a labyrinth of intimidation. Hopefully, this helpful directory structure can ease the anxiety.
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 solve your structure with 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_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.