Fix initialization error in HDF
Merge pull request #492 from kyleabeauchamp/master

Fix initialization error in HDF
Some minor updates for chemical shift wrappers.
Fix docstring
Forgot to document model parameter
Hopefully this works for all versions of pandas...
Merge pull request #494 from kyleabeauchamp/shift_function

[WIP] Some enhancements to chemical shift tools
Merge remote-tracking branch 'upstream/master' into accumulator