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PINT v2.0.5
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@PINT-NMR PINT-NMR released this 03 Oct 11:12
· 8 commits to master since this release
v2.0.5
b105216

This release includes binaries for 64-bit versions of Windows, Linux and macOS.

--Changelog--

General changes:

  • Integration speed has been improved. Benchmark tests revealed an approximate 66% time reduction.
  • Tables and lists now have grid lines to increase readability.
  • GUI design and functionality has been slightly modified, but should be intuitive to returning PINT users.
  • Font size of GUI elements has been increased (macOS only) to increase readability.
  • The "User_manual.pdf" and seven tutorial videos have been updated.
  • Increased the support for high DPI screens (4k resolution and Mac retina screens). Please contact a developer if you are experiencing any issues with the display of any GUI elements or cramped up areas of the interface.

Spectra:

  • The spin box used for browsing the planes of a pseudo-3D spectrum has been changed into a slider and moved below the spectrum.
  • The mouse pointer in the contour plot viewport has been changed to show vertical and horizontal lines instead of a crosshair.
  • It is now possible to adjust the width of the peaklist table.
  • Contour levels are now applied on a logarithmic scale.
  • Changes in contour levels, factors, cutoffs and colors will be saved and loaded on a per spectrum basis.
  • A button that hides the tools below the spectrum has been added. This is useful when running PINT on smaller computer screens and laptops.

Integration:

  • Fixed a multi-threading issue that occasionally caused the application to crash or freeze.
  • The "overlap auto" algorithm, detecting intersection of ellipses, has been replaced. The new algorithm is significantly better at detecting overlaps and can be used for detecting intersection of ellipsoids as well (currently not supported).
  • Error estimation of line widths and peak positions are now calculated with Jackknife resampling. Please note that error estimation of line widths and peak positions are not calculated by default; the option "nLineShapeResample" must be added by the user.
  • Added the option "nLineShapeResample" used to define the number of resampled data sets in line shape fitting. Integration times will increase if this flag is used, we recommend to add it once the fits have been optimized if you need errors in line widths and peak positions.

3Dfits:

  • The default appearance of plots has been changed as it is often more valuable to inspect the total sum of intensities instead of fitted individual peaks. The appearance of plots from prior versions can still be toggled.
  • A slider for browsing the planes of a pseudo-3D spectrum has been added. The option to view all planes at once has been removed.
  • Added slice plots displaying F1/Intensity and F2/Intensity slices. Click any data point to update these plots. The plots show slices of the fitted total and experimental intensities. The plots are toggled by clicking a button.

2Dfits:

  • It is now possible to adjust major and minor tick lengths, margins and tick label sizes.

Parameters:

  • It is now possible to plot multiple data sets in one graph. It is also possible to plot parameters from different working directories within the same project. Read the user manual for more information.
  • It is possible to name plotted data series.

Plots:

  • Please note that any default settings for the Plots tab saved with an older version of PINT are incompatible with this version of PINT. Do not try to import old settings manually.
  • It is now possible to reverse the ranges of the axes as well as to use logarithmic scales.
  • It is now possible to adjust major and minor tick lengths.
  • A legend has been added to the plot. It can be toggled and its position can be changed.
  • Fixed a bug causing coloring of data points to not function properly when not plotting errorbars.
  • Fixed a bug that caused deletion of data points to fail.
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