This is mainly a bug fix release with the following features:
- CARA Spectrum Format:
- I debugged the offset which was visible in X-direction of 3D spectra. All spectra are now correctly positioned (I did extensive tests comparing different kind of spectra with EASY-format). Since it was a problem in the reader, spectra converted with earlier versions should work (no need to re-convert).
- The Conversion to CARA spectra is now 2-10 times faster (200 MB in ~3 Minutes on a 2.4 GHz PC with 8Bit adaptive compression).
- The conversion always makes use of the fast spectrum file access method (independent of the threshold set by the user, see below). If there is not enough free memory space, the conversion stops with an error message. Close all CARA windows and try again. The theoretical maximum size of a source spectrum is 2 GB.
- SpectrumEngine:
- I re-introduced buffering for EASY- and Bruker-Spectra.
- Spectra larger than 100 MB (adjustable) are now directly read from files. I normally use a very fast method to access spectrum files, but which needs address space. Since some people started to work with spectra as large as 1 GB, the address space became full quite soon (on a 32bit machine). The new access method for large spectra is a bit slower, but there are no more restrictions concerning the number of concurrently open spectra. One can adjust the size limit, above which the new method is used (Explorer/Setup).
- Scopes:
- Homo- and PolyScope now support the GS (Goto System) command. If the given SpinSystem appears more than one on the plane, a dialog box is shown where the user can select the peak he wants to focus.
- Synchro- and PolyScope: the folding flag now immediately affects the shown strips (not only after selecting a peak).
- Homo-, Poly-, Strip-, Synchro- and SystemScope now support NS (Next Spectrum) und PS (Prev. Spectrum). PolyScope additionally supports NT (Next 3D Spec) and PT (Prev. 3D Spec).
- Removed a bug in AutoRotate, showing a list of 3D spectra in PolyScope.
- Overall:
- Removed a bug in MoleculeEditor causing a crash when starting from a template.
- Contour Views (especially Synchro- and PolyScope) now finally are able to correctly calculate contours even if the spectrum has strong negative peaks. The noise level is calculated from the whole spectrum. AutoContour calculates the noise level only of the visible plane instead.
- Known Problems:
- Unfortunately there remained a crash bug when converting Bruker to CARA spectra. This will be fixed in 1.0.3.
- There is still a crash problem when trying to open a Scope under low memory condition. I will try to fix that until 1.0.4.
That's it for now. Cheers Rochus