Mon Jul 04 16:40:20.753 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:40:20.756 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D2_OS_Plate04_D2\1\pdata\1
Mon Jul 04 16:40:20.763 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:40:20.767 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:40:20.770 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:40:20.931 CEST 2022: No HSQC data available
Mon Jul 04 16:40:20.944 CEST 2022: No C13 data available
Mon Jul 04 16:40:20.956 CEST 2022: No HMBC data available
Mon Jul 04 16:40:20.963 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:40:21.659 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.69 s.
Mon Jul 04 16:40:21.782 CEST 2022: Structure is used: true
Mon Jul 04 16:40:21.803 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D2_OS_Plate04_D2/1/D2_OS_Plate04_D2-d433d38a-7965-4305-985e-dbdcaad111e5.mol
Mon Jul 04 16:40:21.806 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:40:21.817 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:40:21.819 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:40:21.823 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:40:21.825 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:40:21.828 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:40:21.830 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:40:21.832 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:40:21.837 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:40:21.839 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:40:21.842 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:40:21.845 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:40:21.847 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 16:40:21.849 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:40:21.852 CEST 2022: RMSD noise: 29101732.390 (-2.860/-3.359)
Mon Jul 04 16:40:21.854 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:40:21.856 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:40:21.860 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:40:21.884 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:40:21.957 CEST 2022: Number of Peaks: (52, 19)
Mon Jul 04 16:40:21.960 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:40:21.963 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:40:22.239 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.27 s.
Mon Jul 04 16:40:22.242 CEST 2022: Signal-to-Noise ratio: 2822.72 (2.216 ppm)
Mon Jul 04 16:40:22.244 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:40:22.247 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:40:22.250 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.44 s.
Mon Jul 04 16:40:22.263 CEST 2022: Number of Multiplets: 96
Mon Jul 04 16:40:22.266 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:40:22.301 CEST 2022: Number of Peak Cluster: 22
Mon Jul 04 16:40:22.308 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:40:22.313 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:40:22.430 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:40:22.447 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:40:22.451 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:40:22.455 CEST 2022: Number of consistent PNS: 5
Mon Jul 04 16:40:22.457 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:40:22.460 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:40:22.544 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.08 s.
Mon Jul 04 16:40:22.803 CEST 2022: Elapsed time for evaluation (IN Suite): 0.26 s.
Mon Jul 04 16:40:22.854 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:40:23.217 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:40:23.220 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:40:23.223 CEST 2022: CMC-q finished in 2.47 s.
