Mon Jul 04 16:30:33.993 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:30:33.996 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A4_OS_Plate02_A4\1\pdata\1
Mon Jul 04 16:30:34.003 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:30:34.006 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:30:34.009 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:30:34.460 CEST 2022: No HSQC data available
Mon Jul 04 16:30:34.472 CEST 2022: No C13 data available
Mon Jul 04 16:30:34.485 CEST 2022: No HMBC data available
Mon Jul 04 16:30:34.497 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:30:34.518 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:30:34.664 CEST 2022: Structure is used: true
Mon Jul 04 16:30:34.667 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A4_OS_Plate02_A4/1/A4_OS_Plate02_A4-33979ee9-0a90-48d6-9b3f-c5d1048aaebc.mol
Mon Jul 04 16:30:34.669 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:30:34.681 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:30:34.683 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:30:34.686 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:30:34.689 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:30:34.691 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:30:34.693 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:30:34.696 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:30:34.700 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:30:34.703 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:30:34.706 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:30:34.708 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:30:34.711 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 16:30:34.713 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:30:34.715 CEST 2022: RMSD noise: 28409305.062 (-2.860/-3.359)
Mon Jul 04 16:30:34.718 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:30:34.720 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:30:34.725 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:30:34.749 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:30:34.865 CEST 2022: Number of Peaks: (93, 36)
Mon Jul 04 16:30:34.885 CEST 2022: Elapsed time for evaluation (PP Suite): 0.13 s.
Mon Jul 04 16:30:34.888 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:30:34.901 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:30:34.904 CEST 2022: Signal-to-Noise ratio: 769.75 (7.445 ppm)
Mon Jul 04 16:30:34.907 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:30:34.909 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:30:34.911 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.24 s.
Mon Jul 04 16:30:34.944 CEST 2022: Number of Multiplets: 219
Mon Jul 04 16:30:34.947 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:30:35.008 CEST 2022: Number of Peak Cluster: 32
Mon Jul 04 16:30:35.014 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:30:35.026 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:30:35.167 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:30:35.178 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:30:35.182 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:30:35.186 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:30:35.189 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:30:35.195 CEST 2022: Number of consistent PNS: 35
Mon Jul 04 16:30:35.198 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 16:30:35.209 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon Jul 04 16:30:35.212 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:30:36.018 CEST 2022: Elapsed time for evaluation (BU Suite): 0.83 s.
Mon Jul 04 16:30:36.068 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:30:36.071 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:30:36.414 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:30:36.417 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:30:36.419 CEST 2022: CMC-q finished in 2.43 s.
