Mon Jul 04 16:35:28.900 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:35:28.903 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A5_OS_Plate03_A5\1\pdata\1
Mon Jul 04 16:35:28.911 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:35:28.915 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:35:28.918 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:35:29.012 CEST 2022: No HSQC data available
Mon Jul 04 16:35:29.024 CEST 2022: No C13 data available
Mon Jul 04 16:35:29.034 CEST 2022: No HMBC data available
Mon Jul 04 16:35:29.045 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:35:29.079 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:35:29.193 CEST 2022: Structure is used: true
Mon Jul 04 16:35:29.196 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A5_OS_Plate03_A5/1/A5_OS_Plate03_A5-a0fea1db-97b0-4eca-8c2a-6ddf78c0f8cf.mol
Mon Jul 04 16:35:29.199 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:35:29.393 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:35:29.395 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.19 s.
Mon Jul 04 16:35:29.398 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:35:29.401 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:35:29.403 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:35:29.406 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:35:29.408 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:35:29.413 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:35:29.416 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:35:29.419 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:35:29.421 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:35:29.424 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 16:35:29.426 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:35:29.428 CEST 2022: RMSD noise: 27911551.959 (12.669/12.169)
Mon Jul 04 16:35:29.431 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:35:29.434 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:35:29.438 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:35:29.463 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:35:29.561 CEST 2022: Number of Peaks: (76, 20)
Mon Jul 04 16:35:29.564 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:35:29.567 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:35:29.622 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:35:29.636 CEST 2022: Signal-to-Noise ratio: 1189.85 (6.933 ppm)
Mon Jul 04 16:35:29.638 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:35:29.641 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:35:29.643 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.44 s.
Mon Jul 04 16:35:29.666 CEST 2022: Number of Multiplets: 135
Mon Jul 04 16:35:29.669 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:35:29.721 CEST 2022: Number of Peak Cluster: 28
Mon Jul 04 16:35:29.727 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:35:29.741 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:35:29.880 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:35:29.887 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:35:29.892 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:35:29.896 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:35:29.899 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:35:29.902 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:35:29.942 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.04 s.
Mon Jul 04 16:35:30.197 CEST 2022: Elapsed time for evaluation (IN Suite): 0.25 s.
Mon Jul 04 16:35:30.249 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:35:30.644 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.44 s.
Mon Jul 04 16:35:30.647 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:35:30.650 CEST 2022: CMC-q finished in 1.75 s.
