MCMC fixes

MCMC was not loading prior probability distributions and this should be fixed now.

Fractionation graph changes

Fractionation graphs changed to a stair step instead of midpoint.

Minimization

Outputs have been changed to minimization and graphs have been updated accordingly. This means that all methods now show minimization for progress and scores.

New noise feature for MCMC. Bases on analysis a new noise feature was added called uv_noise norm that takes the a multiplier and a standard deviation for it "uv_noise_norm": [1.0, 0.001] This is based on noise in UV signal being closely related to the currently measured value and in experimental analysis it looks like this is nearly constant.

Smoothing and minor fixes

Smoothing now resamples the data if the data is not uniformly spaced. This improves how well the smoothing works. There are also a number of small fixes related to using splines more efficiently and cleaning up some code.

Packaging fix

This is a new version that is put out just to fix a packaging issue. It turns out some of the problems where from the build directory for the wheel not getting cleaned so old files where being includes which was causing problems. This should be fixed now.

boundOffset fix

This is just a tiny bug fix for an error related to boundOffset that turned up when running a simulation.

Fixed obsolete scores trying to import scoop

This is just a minor release that deals with a problem related to code trying to import scoop which is no longer used

Handle blanks in fractionation and new dependency changes

Blank entries are now handled in fractionation data and skipped

Dependencies have been updated and when CADETMatch is run it writes out the version of all libraries along with the version of those libraries this version was tested against.

Better stopping

Measuring progress for these algorithms can be difficult. The system should better recognize when significant progress is being made for single and multiple-objectives and should stop when significant progress is no longer being made. When only a single objective was used it was regarding all progress as significant no matter how small which caused the algorithm not to halt.

Shape, ShapeFront, ShapeBack decay works now

Fixed a minor problem with Shape, ShapeFront and ShapeBack so that decay:0 and decay:1 works correctly.