Mon Jul 04 16:40:59.203 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:40:59.205 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G3_OS_Plate04_G3\1\pdata\1
Mon Jul 04 16:40:59.213 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:40:59.217 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:40:59.219 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:40:59.511 CEST 2022: No HSQC data available
Mon Jul 04 16:40:59.525 CEST 2022: No C13 data available
Mon Jul 04 16:40:59.538 CEST 2022: No HMBC data available
Mon Jul 04 16:40:59.546 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:40:59.564 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:40:59.734 CEST 2022: Structure is used: true
Mon Jul 04 16:40:59.753 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G3_OS_Plate04_G3/1/G3_OS_Plate04_G3-6c0e9bc9-cd11-4c13-acbf-f82dc24be993.mol
Mon Jul 04 16:40:59.756 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.19 s.
Mon Jul 04 16:40:59.762 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:40:59.764 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:40:59.767 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:40:59.769 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:40:59.772 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:40:59.774 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:40:59.776 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:40:59.780 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:40:59.783 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:40:59.786 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:40:59.788 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:40:59.790 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 16:40:59.793 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:40:59.795 CEST 2022: RMSD noise: 29068797.991 (-2.860/-3.359)
Mon Jul 04 16:40:59.797 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:40:59.800 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:40:59.805 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:40:59.828 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:40:59.947 CEST 2022: Number of Peaks: (118, 19)
Mon Jul 04 16:40:59.950 CEST 2022: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon Jul 04 16:40:59.953 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:41:00.010 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:41:00.012 CEST 2022: Signal-to-Noise ratio: 4668.45 (0.860 ppm)
Mon Jul 04 16:41:00.015 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:41:00.018 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:41:00.020 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 16:41:00.050 CEST 2022: Number of Multiplets: 183
Mon Jul 04 16:41:00.053 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:41:00.116 CEST 2022: Number of Peak Cluster: 34
Mon Jul 04 16:41:00.121 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:41:00.133 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:41:00.293 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.16 s.
Mon Jul 04 16:41:00.300 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:41:00.305 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:41:00.311 CEST 2022: Number of consistent PNS: 7
Mon Jul 04 16:41:00.313 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 16:41:00.316 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:41:00.449 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.13 s.
Mon Jul 04 16:41:00.620 CEST 2022: Elapsed time for evaluation (IN Suite): 0.17 s.
Mon Jul 04 16:41:00.686 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:41:01.042 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:41:01.045 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:41:01.047 CEST 2022: CMC-q finished in 1.84 s.
