Xwin Nmr

Release Letter 3.1
Chapter 8.
Bugs corrected in NMR-SUITE 3.1

8.1 XWIN-NMR 3.1

8.1.1 Acquisition

1. Bug 2740: Sometimes after start of gs the acquisition window shows invalid FID, and it may take a few minutes until the correct FID is displayed. This happens reliably using a PC with P3 faster than 700MHz and when td is larger than 20k.

Numark dj controller spotify. 2. Bug 2727: Sometimes samples are not inserted during SampleRail automation, but the message: 'Sample missing (can’t lock)' is displayed and the run is aborted.

3. Bug 2682: When cortab is done for 1H as the first preamplifier module below the Cover module of an HPPR2, the results can be very poor.

4. Bug 2672: If the new edprosol command imports old prosol parameters, then the old D_grad pulse is imported in seconds instead of usec.

5. Bug 2671: 1) In 1D experiments writing to file #0, #1 etc fails except for the last written file. Files are produced correctly but are removed after termination of the experiment. 2) In 2D experiments this error didn’t occur, but it was impossible to write to #1 etc if #0 was not written first. 3) Under WINNT or WIN2000 #1 always fails with error message 'illegal file name'

The command expinstallinstalls pulse programs, AU programs, parameter sets and various other resources for spectrometer usage. It must be performed once after the installation of Xwin-nmrand after cfhas been done. Cf and expinstall are typically performed as a part of the configconfiguration suite. If you are processing files from AV400dir or AV600cp using XWIN-NMR, you can print your files from XWIN-PLOT only. Referencing proton and carbon spectra should be done by using chemical shift of residual protons and chemical shift of 13C respectively from the solvent used to dissolve your sample.

6. Bug 2639: In case of a BBI and BBO probes with ATMA accessory the probe firmware (PICS) could be damaged when two simultaneous atma commands are active. This occasionally happens because the atma command is not terminated correctly when stop is done manually. Therefore, the atma command has to be terminated explicitly with the kill command. When atma is done during an automation procedure no problems occured up to now.

7. Bug 2638: If during gs the frequency is changed several MHz on an Avance spectrometer equipped with AQS rack the signal may disappear.

8. Bug 2625: You can select each nucleus of an ATMA broadband probe only once. The second time the following error will be shown: 'Error: bb-channel can’t be set to f1 [13C] <Probe-NucBB-MotorBase:movePreseted-Motor-Nr:9 <BB Tune>:can’t move to position -xxxx (-xx)>'.

9. Bug 2617: If a cpd program uses shaped pulses instead of rectangular pulses, the phases specified with #setphase and :0 after the shaped pulses are not executed correctly.

10. Bug 2602: The pulsdisp window shows no pulses in the CH1/CH2/.. window rows if the simulated spectrometer is equipped with a TCU3.

11. Bug 2595: HPPR2: When edhead is started and a probe without PICS is con-nected, the program crashes with an 'Illegal Termination of xxx process due to signal 6 - core dumped' message.

12. Bug 2586: If you have an aqcquisition running, then stop it and immediately start a new acquisition, it can happen that the new acquisition aborts with the error message: 'Cannot <do something>: timeout (device sleeping, off or not connected)'.

Nmr

13. Bug 2584: atma and atmm fails with the error message 'frequency out of range' on an 600MHz AV spectrometer for 1H nuclei.

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14. Bug 2572: Sweep width for homodecoupling is wrong by a few percent

15. Bug 2544: When using the HPPR2 it can happen that different modules are erroneously recognized as identical modules.

16. Bug 2454: Sometimes the lock gets into a tri state, i.e.1) un-locked press lock button 2) semi-locked: lock display looks locked, but lock LED is blinking press lock button 3) locked press lock button again get back to state 1). If the BSMS reached that state, this behaviour is reproducible.

17. Bug 2437: The rsh command gives error messages: Warning: 'ShimFile ’/u/exp/stan/nmr/lists/bsms/****’ was not stored with the same Probe'

8.1.2 Processing

1. Bug 2700: The edp command shows in the F1 column, depending on AQORDER, for 2D slices of 3D dataset wrong parameters. The same applies to dpp and lpp. The single parameters which have relations between proc and acqu parameters show the same behaviour.

2. Bug 2653: The nmrquant command doesn’t work properly in XWIN-NMR 3.0 under Windows, because the basereg file is not created.

3. Bug 2631: On processed 2D datasets with total size equal or less 1024 points(e.q. SI{F2} x SI{F1} = 32 x 32) the command dosy2d may not work but issue the error message: 'Can not get a 4096 bytes shared memory for processing with SMX-size given from this processed dataset. Call your system administrator to check tunable OS parameter SHMMAX.'X

4. Bug 2614: wpar/rpar is unable to read/write the parameter files dosy and t1par.

5. Bug 2592: Sometimes, the deconvolution command ldcon (but it could also happen for gdcon) terminates with 'segmentation violation' and no fitting is done.

6. Bug 2591: sinocal never uses the default values specified at the beginning of the AU program. Instead, if the spectrum type cannot be detected from the dataset name, the values for the water suppression experiment are used.

7. Bug 2590: Depending on the noise level of the 2D spectrum, the AU program pp2dmi sometimes doesn’t find any peaks.

8. Bug 2566: 2D processing commands like ’xf2p’ may finish immediately without an error message. The entry in the history file shows a -1 status like: 'cmd term: xf2p; status=-1'. After this the graphics program does not display the processed data any longer because 2D processing sets the dsp.hdr file entry ##LOC= -2.

9. Bug 2545: The input filename of fromjdx is truncated to 40 characters, the out-put in tojdx to 65 characters which is too small on WinNT.

8.1.3 Display

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1. Bug 2611: xcpu dies with with following message:'Graphic restart after normal error in ’xlib’, xerror of failed request:bad value ( or bad match )..CPR: graphic server called exit (1)'. The installation of ’VNMR’ or ’MathLab’ may set the X server to 12-bit PseudoColor as default Visual and therefore cause this error.

2. Bug 2478: After an update of a Linux Workstation used as display for XWIN-NMR to Suse-7.0 or RedHat-7.0 the XWIN-NMR menues don’t show properly. In eda only the editable fields are readable, other text is shown as squareblocks.

3. Bug 1993: The T1 information about the fitted peak as it is displayed on the screen in the little Info window is inconsistent with what is written to the output files (also on the screen). This happens when the baseline points (baslpnts) file is not written in strictly descending order. That means, highest ppm values first.