NPK release notes

What is new with version 0.995 - dec 2009

This release has been quite long to come. Version 0.993 and then 0.994 had been in my pocket since a long time (and even distributed), but I had no time to finalize it. Finally, I chose to go ahead to 0.995 adding all together.

From nov 1st to Dec 9th, a version with a wrong file storage has been distributed, please check that your distribution is not from this set

• Many corrected bugs in the processing of 3D
• DOSY processing supports new options :
• New parrallel processing for DOSY. Allows up large speed improvement on multiprocessor computers or clusters.
  Check the documentation
• Oneshot and PGSE sequences are now supported
• f1_noise_weight key allow a finer control of the noise estimate
• f1_ignore_point_list is now fully operational
• Linefitter is available. This is still very early development, but the hardest part is over
• tempfile tend to be buggy in jython, some code has been written to protect from them
• new temptative NPK_state module, allowing an "Object-like" access to the kernel state - will be extended
• Improved and faster importers
• many bugs here and there...

What is new with version 0.992 - june 2007

• a nasty bug in the 3D importer has been corrected
• examples for 3D processing have been added to the example page
• another bug has been corrected in the file access library which was giving wrong values for dmin and dmax in DOSY processing (was dfactor² too large). This bug had been introduced with the 0.99 version

What is new with version 0.991 - may 2007

• 3D processing implemented
• new 3D Importer (Bruker only so far)
• MaxEnt extended
• partial sampling mode with MaxEnt
• positive / negative mode
• iteration default values modified for me_preset, values have been ~ doubled
• right_shift has been corrected
• auditfilename slightly modified
• new audit mode "mute", used in 3D processing
• indented mode in 3D
• Extended Documentation, including examples and kernel entries.

What is new with version 0.99 - mar 2007

• ²⁰⁷Pb corrected in Nucleus.py
• 2D Maxent processing is now operational
• DOSY sequece parameter names have been modified (eg : RecoveryGradientDelay is now recovery_gradient_delay)
• dc_offset default to zero in 1D processing
• added action : select_state in post phases
• added action : spectral_zone in maxent2d
• 2D baseline correction improved
• projection action moved after all spectral improvements
• improved data_check action (but still requires corrections)
• new, and much better, set-up for parameter default values. NPKParam class, permits algorithmic default values
• the kernel is now FULLY dynamique, and can handle buffers up to 2Go (512M points) in any dimensions
• new kernel documentation
• improved ILT (DOSY) convergence
• improved lancher (reduced variable collinsions risk)
• new flag execute_ilt in ilt_2dF1 permits to postpone dosy processing
• first (working!)  version of batch_dosy.py permiting to start FODY processing on a multiprocessor cluster
• corrected bug on Bruker importer for file size not multiple of 256
• test suit extended
• many small bugs corrected

What is new with version 0.981 dec 2006

• Bruker.calibdosy() code, permits to extract the parameters of a DOSY experiment from the acqus file
• Nucleus code defines all the common nucleus parameters, from IUPAC
• autocalib() has been adapted in consequence
• shear and tilt code has been more documented, SecsyToCosy, InadequateToCosy, JResTilt, etc. shortcuts have been created
• a new action in DOSY : dump_preset permits to dump the preset values without running the ILT, allowing processing to be reported for later run
• New example for shearing
• corrected a bug with dict_dump for strings
• many bugs in default parameters have been cleared
• autophase ad modulus are now effectively exclusive
• a bug in jython for very long column lists in DOSY processing have been corrected
• a bug in NPK.bat hampering its use under windows has been corrected

What is new with version 0.98 nov 2006

• new invokation convention (see Documentation)
• support for default parameters
• Bruker and Varian importer (finally did them !)
• optimized ILT convergence
• new autophaser, apmin, much improved
• examples and documentation !
• many bugs.... (I mean corrected, but of course new bugs as well)
  

NPK is an NMR processing program developped by Marc A. Delsuc, Vincent Catherinot, Dominique Tramesel, and others.