Mon Jul 04 16:21:54.355 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:21:54.357 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E5_OS_Plate011_E5\1\pdata\1
Mon Jul 04 16:21:54.365 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:21:54.369 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:21:54.372 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:21:54.407 CEST 2022: No HSQC data available
Mon Jul 04 16:21:54.421 CEST 2022: No C13 data available
Mon Jul 04 16:21:54.433 CEST 2022: No HMBC data available
Mon Jul 04 16:21:54.441 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:21:54.462 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:21:54.562 CEST 2022: Structure is used: true
Mon Jul 04 16:21:54.586 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E5_OS_Plate011_E5/1/E5_OS_Plate11_E5-ce2df409-e351-48c7-ac41-2abb79521ba4.mol
Mon Jul 04 16:21:54.589 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:21:54.600 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:21:54.602 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:21:54.606 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:21:54.608 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:21:54.611 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:21:54.613 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:21:54.616 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:21:54.620 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:21:54.623 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:21:54.626 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:21:54.628 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:21:54.631 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 16:21:54.633 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:21:54.636 CEST 2022: RMSD noise: 30498556.221 (9.400/8.900)
Mon Jul 04 16:21:54.638 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:21:54.641 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:21:54.645 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:21:54.670 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:21:54.749 CEST 2022: Number of Peaks: (68, 13)
Mon Jul 04 16:21:54.752 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:21:54.754 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:21:54.793 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:21:54.796 CEST 2022: Signal-to-Noise ratio: 1527.97 (8.123 ppm)
Mon Jul 04 16:21:54.800 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:21:54.802 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:21:54.805 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:21:54.820 CEST 2022: Number of Multiplets: 123
Mon Jul 04 16:21:54.823 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:21:54.866 CEST 2022: Number of Peak Cluster: 21
Mon Jul 04 16:21:54.873 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:21:54.885 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:21:55.017 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:21:55.023 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:21:55.027 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:21:55.031 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:21:55.034 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:21:55.037 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:21:55.113 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.07 s.
Mon Jul 04 16:21:55.430 CEST 2022: Elapsed time for evaluation (IN Suite): 0.31 s.
Mon Jul 04 16:21:55.525 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:21:55.904 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.46 s.
Mon Jul 04 16:21:55.907 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:21:55.910 CEST 2022: CMC-q finished in 1.56 s.
