Mon Jul 04 16:29:35.618 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:29:35.620 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B2_OS_Plate02_B2\1\pdata\1
Mon Jul 04 16:29:35.627 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:29:35.631 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:29:35.633 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:29:35.652 CEST 2022: No HSQC data available
Mon Jul 04 16:29:35.663 CEST 2022: No C13 data available
Mon Jul 04 16:29:35.675 CEST 2022: No HMBC data available
Mon Jul 04 16:29:35.685 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:29:35.737 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:29:35.841 CEST 2022: Structure is used: true
Mon Jul 04 16:29:35.862 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B2_OS_Plate02_B2/1/B2_OS_Plate02_B2-fc0ffa6f-29a9-4675-b543-12c3786d2576.mol
Mon Jul 04 16:29:35.865 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.13 s.
Mon Jul 04 16:29:36.074 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:29:36.076 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.21 s.
Mon Jul 04 16:29:36.079 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:29:36.082 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:29:36.084 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:29:36.086 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:29:36.089 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:29:36.093 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:29:36.096 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:29:36.099 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:29:36.101 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:29:36.104 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 16:29:36.106 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:29:36.109 CEST 2022: RMSD noise: 30675951.614 (10.217/9.717)
Mon Jul 04 16:29:36.111 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:29:36.114 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:29:36.117 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:29:36.141 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:29:36.229 CEST 2022: Number of Peaks: (85, 6)
Mon Jul 04 16:29:36.232 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:29:36.235 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:29:36.376 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.14 s.
Mon Jul 04 16:29:36.379 CEST 2022: Signal-to-Noise ratio: 5920.51 (2.227 ppm)
Mon Jul 04 16:29:36.382 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:29:36.384 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:29:36.387 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.52 s.
Mon Jul 04 16:29:36.403 CEST 2022: Number of Multiplets: 121
Mon Jul 04 16:29:36.405 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:29:36.463 CEST 2022: Number of Peak Cluster: 39
Mon Jul 04 16:29:36.469 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:29:36.477 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:29:36.618 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:29:36.637 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:29:36.642 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:29:36.645 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:29:36.648 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:29:36.650 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:29:36.724 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.07 s.
Mon Jul 04 16:29:36.788 CEST 2022: Elapsed time for evaluation (IN Suite): 0.06 s.
Mon Jul 04 16:29:36.840 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:29:37.207 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:29:37.210 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:29:37.213 CEST 2022: CMC-q finished in 1.60 s.
