Mon Jul 04 16:50:09.818 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:50:09.821 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F1_OS_Plate06_F1\1\pdata\1
Mon Jul 04 16:50:09.829 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:50:09.832 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:50:09.835 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:50:12.107 CEST 2022: No HSQC data available
Mon Jul 04 16:50:12.121 CEST 2022: No C13 data available
Mon Jul 04 16:50:12.131 CEST 2022: No HMBC data available
Mon Jul 04 16:50:12.139 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:50:12.536 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.39 s.
Mon Jul 04 16:50:12.622 CEST 2022: Structure is used: true
Mon Jul 04 16:50:12.640 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F1_OS_Plate06_F1/1/F1_OS_Plate06_F1-19316d08-49e3-422d-bb3e-51d45b123cfd.mol
Mon Jul 04 16:50:12.643 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:50:12.653 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:50:12.655 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:50:12.659 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:50:12.661 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:50:12.663 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:50:12.666 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:50:12.668 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:50:12.673 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:50:12.675 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:50:12.678 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:50:12.680 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:50:12.682 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 16:50:12.685 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:50:12.687 CEST 2022: RMSD noise: 33920192.644 (-2.860/-3.359)
Mon Jul 04 16:50:12.689 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:50:12.692 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:50:12.696 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:50:12.720 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:50:12.877 CEST 2022: Number of Peaks: (146, 24)
Mon Jul 04 16:50:12.880 CEST 2022: Elapsed time for evaluation (PP Suite): 0.16 s.
Mon Jul 04 16:50:12.883 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:50:12.896 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:50:12.898 CEST 2022: Signal-to-Noise ratio: 40385.35 (2.139 ppm)
Mon Jul 04 16:50:12.901 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:50:12.903 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:12.906 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 16:50:12.958 CEST 2022: Number of Multiplets: 245
Mon Jul 04 16:50:12.961 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon Jul 04 16:50:13.058 CEST 2022: Number of Peak Cluster: 44
Mon Jul 04 16:50:13.064 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon Jul 04 16:50:13.075 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:50:13.310 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.23 s.
Mon Jul 04 16:50:13.335 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:50:13.341 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:50:13.345 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:50:13.347 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:50:13.350 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:50:13.359 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:50:13.401 CEST 2022: Elapsed time for evaluation (IN Suite): 0.04 s.
Mon Jul 04 16:50:13.477 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:50:13.832 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.43 s.
Mon Jul 04 16:50:13.835 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:13.837 CEST 2022: CMC-q finished in 4.02 s.
