Mon Jul 04 16:14:06.279 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:14:06.281 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C11_OS_Plate01_C11\1\pdata\1
Mon Jul 04 16:14:06.288 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:14:06.292 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:14:06.295 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:14:06.327 CEST 2022: No HSQC data available
Mon Jul 04 16:14:06.339 CEST 2022: No C13 data available
Mon Jul 04 16:14:06.351 CEST 2022: No HMBC data available
Mon Jul 04 16:14:06.359 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:14:06.388 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon Jul 04 16:14:06.473 CEST 2022: Structure is used: true
Mon Jul 04 16:14:06.476 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C11_OS_Plate01_C11/1/C11_OS_Plate1_C11-370a1030-7f35-4b32-bd83-87fddb38c9d2.mol
Mon Jul 04 16:14:06.479 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.09 s.
Mon Jul 04 16:14:06.490 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:14:06.492 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:14:06.495 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:14:06.498 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:14:06.500 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:14:06.502 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:14:06.505 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:14:06.509 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:14:06.512 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:14:06.515 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:14:06.517 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:14:06.520 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.6, protonShiftLimitBPpm=2.54, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 16:14:06.522 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:14:06.524 CEST 2022: RMSD noise: 30784898.482 (6.132/5.632)
Mon Jul 04 16:14:06.526 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:14:06.529 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:14:06.533 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:14:06.556 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:14:06.652 CEST 2022: Number of Peaks: (91, 8)
Mon Jul 04 16:14:06.674 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:14:06.676 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:14:06.808 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.13 s.
Mon Jul 04 16:14:06.811 CEST 2022: Signal-to-Noise ratio: 7925.13 (2.930 ppm)
Mon Jul 04 16:14:06.814 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:14:06.816 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:14:06.819 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.34 s.
Mon Jul 04 16:14:06.840 CEST 2022: Number of Multiplets: 147
Mon Jul 04 16:14:06.843 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:14:06.898 CEST 2022: Number of Peak Cluster: 31
Mon Jul 04 16:14:06.904 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:14:06.920 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:14:07.052 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:14:07.057 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:14:07.062 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:14:07.066 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:14:07.069 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:14:07.071 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:14:07.127 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.05 s.
Mon Jul 04 16:14:07.265 CEST 2022: Elapsed time for evaluation (IN Suite): 0.13 s.
Mon Jul 04 16:14:07.317 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:14:07.674 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:14:07.687 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:14:07.690 CEST 2022: CMC-q finished in 1.41 s.
