tikuta / fsecplotter2

New version of (Shimazu) FSCEplotter written in Python3 and PyQt5

FSECplotter2

The interactive plotting application for FSEC.

In current version, compatible with Shimadzu HPLC and Hitachi HPLC formats.

Features

• A simple GUI based control for drawing Shimadzu and Hitachi (or other HPLCs) format chromatograms.
• Drag&Drop operation for file opening.
• Cross platform application with python3 and PyQt5.
• Drawing melting curve in the FSEC-TS assay (Tools->calcTm).
• Normalizing Y-axis (Tools->Y-axis scaling).
• Peak integration (Tools->Peak integration).
• Max peak table (Tools->Peak table).
• The line color and line width can be changed manually.
• The unit of X-axis can be selected from [Time(min)] and [Volume(mL)]
• The style and context setting in the seaborn package is supported. Check "use seaborn package" in the Preference->Figure Canvas Setting, and select the style and context. This setting was enabled when the app is restarted.
• The csv data table (long format) can be exported.
• You can extend the file parser with your own parser for another HPLC file (See below).

How to download package (only for Windows or MacOSX)

0. Download appropriate package from releases tab

• These packages are built wiht 64-bit python, so the binary for MacOSX will only work on MacOSX 10.6+.

1. Double click the downloaded

If you cannot launch from downloaded package, please try to launch from source code (below).

How to launch from source code (for OSX users)

0. Install homebrew.
1. Execute brew install python3 qt5 pyqt5.
2. Execute pip3 install -r requirements.txt.

How to launch from source code (for Windows users)

0. Install python3.
1. Execute pip3 install -r requirements.txt.
2. Install PyQt5 for windows binary package.

Note: At 2015/12/3, PyQt5.5.1 binary package supports only python3.4.

How to use

0. Start app with python FSECplotter2.py.
1. Drag and Drop the FSEC logfile(s) to the left-side widget. Or, press "Open File" button and select logfiles.
2. Chromatograms will appear in right half widget.
3. To save figure, press "Save Fig. As..." button to select filename to save. PNG, JPG, PDF formats can be selected.
4. "Quick Save" button saves figure as YYMMDD-HHMMSS.png format in the last loaded directory.
5. If you want to delete all files, press 'file'->'Remove all files'.

• flowrate data was automatically parsed when decimal was contained in the method filename in Shimadzu format. For other HPLC formats, please input the flowrate information manually.

• In the FSEC-TS calculation, the temperature information will be automatically parsed when integer was contained in the filename of data file.

Test files

This repository includes test files for Shimadzu HPLC in test/fixture/shimadzu directory.

• test?.txt : test files for large column (GE Healthcare Superose6 increase 10/300)

• mini_test?.txt : test files for mini column (GE Healthcare Superdex200 increase 5/150)

Or, for Hitachi HPCL, use the test files in test/fixture/hitachi directory

• *.rw? : for wave length 1 or 2

Packaging

Packaged binary for Windows and MacOSX is distributed in release tab above.

If you want to build binary yourself, use Pyinstaller for example.

For pyinstaller, use the spec file in win_build/FSECplotter2.spec or osx_build/FSECplotter2.spec, as pyinstaller --clean FSECplotter2.spec

For Another HPLC

To extend for another HPLC,

0. Extend the Logfile class in FSECplotter/core/logfile.py, and implement data() and _parse() method.
1. Add dispatch code to LogfileFactory.create() method in FSECplotter/core/logfile.

License

• GPLv2