Release notes
3.0.7
File extension will NOT be added automatically for output filenames. User specified filename is uses as it is.
Documentation improved. Parameter type hint added to every parameter
Chemical shift values in API dump are now converted into float before processing.
3.0.6
Bug fix: Filtering chemical shifts based on standard deviation was not working properly when you fetch chemical shifts of more than one atom type. It is fixed now.
3.0.5
New: generic 2D spectrum can optionally include chemical shifts from preceding and next residues
New: sequential connectivity can be shown as trace in the generic 2D spectrum
Documentation improved
3.0.4
function added to export peak list in csv or sparky format
PEP8 standard implemented
pytest improved
documentation updated
3.0.3
Class methods are converted in to Modules
plot title added
PyNMRSTAR entry object can be given as input for spectral simulation
parameter type definition added
3.0.2
Missing y axis label on histogram fixed
Output file name extensions are added after checking
3.0.1
Documentation improved
added few more tests
pytest timeout issue fixed
3.0.0
First release of version 3
verision 1.x and 2.x will not be updated
pybmrb ends support for Python 2.x
Use PyBMRB v3.x which runs on Python 3.6,3.7,3.8 and 3.9