Mon Jul 04 16:50:45.142 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:50:45.145 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F3_OS_Plate06_F3\1\pdata\1
Mon Jul 04 16:50:45.152 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:50:45.156 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:50:45.159 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:50:45.407 CEST 2022: No HSQC data available
Mon Jul 04 16:50:45.419 CEST 2022: No C13 data available
Mon Jul 04 16:50:45.430 CEST 2022: No HMBC data available
Mon Jul 04 16:50:45.478 CEST 2022: Elapsed time for evaluation (XD Suite): 0.05 s.
Mon Jul 04 16:50:45.500 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:50:45.585 CEST 2022: Structure is used: true
Mon Jul 04 16:50:45.602 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F3_OS_Plate06_F3/1/F3_OS_Plate06_F3-f7b6406f-6cbf-42c5-86bf-4488d63eed59.mol
Mon Jul 04 16:50:45.604 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:50:45.615 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:50:45.617 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:50:45.621 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:50:45.623 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:50:45.625 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:50:45.628 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:50:45.630 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:50:45.634 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:50:45.637 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:50:45.640 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:50:45.642 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:50:45.644 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 16:50:45.647 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:50:45.649 CEST 2022: RMSD noise: 30117840.799 (-0.405/-0.905)
Mon Jul 04 16:50:45.652 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:50:45.655 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:50:45.659 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:50:45.683 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:50:45.795 CEST 2022: Number of Peaks: (133, 23)
Mon Jul 04 16:50:45.799 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:50:45.801 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:50:45.814 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:50:45.817 CEST 2022: Signal-to-Noise ratio: 6136.42 (4.051 ppm)
Mon Jul 04 16:50:45.819 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:50:45.822 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:45.824 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 16:50:45.852 CEST 2022: Number of Multiplets: 188
Mon Jul 04 16:50:45.855 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:50:45.947 CEST 2022: Number of Peak Cluster: 48
Mon Jul 04 16:50:45.953 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon Jul 04 16:50:45.961 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:50:46.135 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Mon Jul 04 16:50:46.147 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:50:46.152 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:50:46.157 CEST 2022: Number of consistent PNS: 5
Mon Jul 04 16:50:46.160 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:50:46.163 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:50:46.174 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:50:46.246 CEST 2022: Elapsed time for evaluation (IN Suite): 0.07 s.
Mon Jul 04 16:50:46.295 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:50:46.660 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:50:46.663 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:46.665 CEST 2022: CMC-q finished in 1.52 s.
