Mon Jul 04 16:10:10.298 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:10:10.301 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D2_OS_Plate01_D2\1\pdata\1
Mon Jul 04 16:10:10.308 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:10:10.311 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:10:10.314 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:10:10.362 CEST 2022: No HSQC data available
Mon Jul 04 16:10:10.374 CEST 2022: No C13 data available
Mon Jul 04 16:10:10.387 CEST 2022: No HMBC data available
Mon Jul 04 16:10:10.394 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:10:10.415 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:10:10.531 CEST 2022: Structure is used: true
Mon Jul 04 16:10:10.551 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D2_OS_Plate01_D2/1/D2_OS_Plate1_D2-dbc11b70-3c86-49c4-8d1b-4efa2f3b4426.mol
Mon Jul 04 16:10:10.554 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:10:10.574 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:10:10.577 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.02 s.
Mon Jul 04 16:10:10.580 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:10:10.582 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:10:10.585 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:10:10.587 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:10:10.590 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:10:10.594 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:10:10.596 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:10:10.600 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:10:10.602 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:10:10.604 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 16:10:10.606 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:10:10.609 CEST 2022: RMSD noise: 29162749.410 (-2.860/-3.359)
Mon Jul 04 16:10:10.611 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:10:10.614 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:10:10.618 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:10:10.641 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:10:10.785 CEST 2022: Number of Peaks: (115, 22)
Mon Jul 04 16:10:10.787 CEST 2022: Elapsed time for evaluation (PP Suite): 0.14 s.
Mon Jul 04 16:10:10.790 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:10:10.889 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.10 s.
Mon Jul 04 16:10:10.892 CEST 2022: Signal-to-Noise ratio: 1039.70 (1.498 ppm)
Mon Jul 04 16:10:10.895 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:10:10.897 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:10:10.900 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.34 s.
Mon Jul 04 16:10:10.982 CEST 2022: Number of Multiplets: 272
Mon Jul 04 16:10:10.985 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.08 s.
Mon Jul 04 16:10:11.333 CEST 2022: Number of Peak Cluster: 17
Mon Jul 04 16:10:11.339 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.35 s.
Mon Jul 04 16:10:11.350 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:10:11.626 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.27 s.
Mon Jul 04 16:10:11.647 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:10:11.651 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:10:11.655 CEST 2022: Number of consistent PNS: 1
Mon Jul 04 16:10:11.658 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:10:11.684 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon Jul 04 16:10:11.960 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.27 s.
Mon Jul 04 16:10:12.596 CEST 2022: Elapsed time for evaluation (IN Suite): 0.63 s.
Mon Jul 04 16:10:12.646 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:10:12.997 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:10:13.000 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:10:13.003 CEST 2022: CMC-q finished in 2.71 s.
