Mon Jul 04 16:22:40.328 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:22:40.330 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A8_OS_Plate011_A8\1\pdata\1
Mon Jul 04 16:22:40.337 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:22:40.341 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:22:40.344 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:22:40.375 CEST 2022: No HSQC data available
Mon Jul 04 16:22:40.387 CEST 2022: No C13 data available
Mon Jul 04 16:22:40.399 CEST 2022: No HMBC data available
Mon Jul 04 16:22:40.406 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:22:40.426 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:22:40.564 CEST 2022: Structure is used: true
Mon Jul 04 16:22:40.587 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A8_OS_Plate011_A8/1/A8_OS_Plate11_A8-9bbb3957-aa88-4aa0-b6a1-a74f49a724b2.mol
Mon Jul 04 16:22:40.590 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.16 s.
Mon Jul 04 16:22:40.601 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:22:40.603 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:22:40.606 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:22:40.609 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:22:40.611 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:22:40.614 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:22:40.616 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:22:40.621 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:22:40.624 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:22:40.627 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:22:40.629 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:22:40.632 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 16:22:40.634 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:22:40.636 CEST 2022: RMSD noise: 29316757.574 (-2.040/-2.539)
Mon Jul 04 16:22:40.639 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:22:40.642 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:22:40.646 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:22:40.670 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:22:40.758 CEST 2022: Number of Peaks: (72, 12)
Mon Jul 04 16:22:40.761 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:22:40.764 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:22:40.825 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.06 s.
Mon Jul 04 16:22:40.828 CEST 2022: Signal-to-Noise ratio: 962.33 (7.253 ppm)
Mon Jul 04 16:22:40.831 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:22:40.833 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:40.835 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.24 s.
Mon Jul 04 16:22:40.851 CEST 2022: Number of Multiplets: 109
Mon Jul 04 16:22:40.854 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:22:40.902 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:22:40.907 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:22:40.916 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:22:41.047 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:22:41.066 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:22:41.070 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:22:41.074 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:22:41.077 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:22:41.079 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:22:43.259 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 2.18 s.
Mon Jul 04 16:22:43.658 CEST 2022: Elapsed time for evaluation (IN Suite): 0.39 s.
Mon Jul 04 16:22:43.709 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:22:43.712 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 16:22:44.063 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:22:44.066 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:22:44.069 CEST 2022: CMC-q finished in 3.74 s.
