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