Mon Jul 04 16:30:25.373 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:30:25.376 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F3_OS_Plate02_F3\1\pdata\1
Mon Jul 04 16:30:25.383 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:30:25.387 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:30:25.390 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:30:25.421 CEST 2022: No HSQC data available
Mon Jul 04 16:30:25.432 CEST 2022: No C13 data available
Mon Jul 04 16:30:25.443 CEST 2022: No HMBC data available
Mon Jul 04 16:30:25.460 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:30:25.479 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:30:25.581 CEST 2022: Structure is used: true
Mon Jul 04 16:30:25.598 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F3_OS_Plate02_F3/1/F3_OS_Plate02_F3-99105129-11ab-4dde-b8f5-ba976faf5dc8.mol
Mon Jul 04 16:30:25.600 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:30:25.606 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:30:25.609 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:30:25.612 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:30:25.614 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:30:25.616 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:30:25.619 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:30:25.621 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:30:25.626 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:30:25.628 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:30:25.631 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:30:25.634 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:30:25.636 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 16:30:25.638 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:30:25.641 CEST 2022: RMSD noise: 31549361.735 (-0.405/-0.905)
Mon Jul 04 16:30:25.643 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:30:25.646 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:30:25.650 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:30:25.674 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:30:25.774 CEST 2022: Number of Peaks: (77, 9)
Mon Jul 04 16:30:25.777 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:30:25.780 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:30:25.788 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:30:25.791 CEST 2022: Signal-to-Noise ratio: 709.82 (7.552 ppm)
Mon Jul 04 16:30:25.794 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:30:25.796 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:30:25.798 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.20 s.
Mon Jul 04 16:30:25.818 CEST 2022: Number of Multiplets: 129
Mon Jul 04 16:30:25.820 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:30:25.864 CEST 2022: Number of Peak Cluster: 25
Mon Jul 04 16:30:25.871 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:30:25.884 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:30:26.008 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:30:26.017 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:30:26.022 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:30:26.026 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:30:26.028 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:30:26.031 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:30:26.104 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.07 s.
Mon Jul 04 16:30:26.210 CEST 2022: Elapsed time for evaluation (IN Suite): 0.10 s.
Mon Jul 04 16:30:26.273 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:30:26.618 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:30:26.621 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:30:26.623 CEST 2022: CMC-q finished in 1.25 s.
