Mon Jul 04 16:28:11.333 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:28:11.336 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\H9_OS_Plate012_H9\1\pdata\1
Mon Jul 04 16:28:11.343 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:28:11.347 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:28:11.350 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:28:11.380 CEST 2022: No HSQC data available
Mon Jul 04 16:28:11.393 CEST 2022: No C13 data available
Mon Jul 04 16:28:11.405 CEST 2022: No HMBC data available
Mon Jul 04 16:28:11.412 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:28:11.429 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:28:11.564 CEST 2022: Structure is used: true
Mon Jul 04 16:28:11.581 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/H9_OS_Plate012_H9/1/H9_OS_Plate12_H9-c9986cd5-8aca-4e57-8412-4a32ffc8df39.mol
Mon Jul 04 16:28:11.583 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:28:11.589 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:28:11.591 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:28:11.594 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:28:11.597 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:28:11.599 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:28:11.601 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:28:11.603 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:28:11.608 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:28:11.610 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:28:11.613 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:28:11.616 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:28:11.618 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 16:28:11.620 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:28:11.623 CEST 2022: RMSD noise: 30927149.433 (11.851/11.352)
Mon Jul 04 16:28:11.625 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:28:11.628 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:28:11.633 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:28:11.656 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:28:11.736 CEST 2022: Number of Peaks: (71, 17)
Mon Jul 04 16:28:11.739 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:28:11.742 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:28:11.762 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:28:11.765 CEST 2022: Signal-to-Noise ratio: 1553.29 (1.059 ppm)
Mon Jul 04 16:28:11.767 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:28:11.770 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:28:11.772 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.19 s.
Mon Jul 04 16:28:11.789 CEST 2022: Number of Multiplets: 117
Mon Jul 04 16:28:11.792 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:28:11.833 CEST 2022: Number of Peak Cluster: 23
Mon Jul 04 16:28:11.838 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:28:11.850 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:28:11.968 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:28:11.973 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:28:11.977 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:28:11.982 CEST 2022: Number of consistent PNS: 6
Mon Jul 04 16:28:11.984 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:28:11.987 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:28:12.041 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.05 s.
Mon Jul 04 16:28:12.807 CEST 2022: Elapsed time for evaluation (IN Suite): 0.75 s.
Mon Jul 04 16:28:12.858 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:28:13.215 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:28:13.218 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:28:13.221 CEST 2022: CMC-q finished in 1.89 s.
