Mon Jul 04 16:14:04.313 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:14:04.316 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B11_OS_Plate01_B11\1\pdata\1
Mon Jul 04 16:14:04.323 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:14:04.327 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:14:04.329 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:14:04.368 CEST 2022: No HSQC data available
Mon Jul 04 16:14:04.381 CEST 2022: No C13 data available
Mon Jul 04 16:14:04.394 CEST 2022: No HMBC data available
Mon Jul 04 16:14:04.400 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:14:04.424 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:14:04.557 CEST 2022: Structure is used: true
Mon Jul 04 16:14:04.576 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B11_OS_Plate01_B11/1/B11_OS_Plate1_B11-b9a1e22d-4ff7-463e-ac24-985728e7f4c7.mol
Mon Jul 04 16:14:04.578 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.15 s.
Mon Jul 04 16:14:04.589 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:14:04.592 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:14:04.595 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:14:04.597 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:14:04.599 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:14:04.602 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:14:04.604 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:14:04.608 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:14:04.611 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:14:04.614 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:14:04.616 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:14:04.619 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 16:14:04.621 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:14:04.623 CEST 2022: RMSD noise: 30585586.935 (6.132/5.632)
Mon Jul 04 16:14:04.626 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:14:04.628 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:14:04.632 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:14:04.656 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:14:04.769 CEST 2022: Number of Peaks: (117, 10)
Mon Jul 04 16:14:04.772 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:14:04.774 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:14:04.837 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.06 s.
Mon Jul 04 16:14:04.840 CEST 2022: Signal-to-Noise ratio: 3370.26 (0.858 ppm)
Mon Jul 04 16:14:04.843 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:14:04.845 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:14:04.847 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.27 s.
Mon Jul 04 16:14:04.881 CEST 2022: Number of Multiplets: 172
Mon Jul 04 16:14:04.893 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon Jul 04 16:14:04.946 CEST 2022: Number of Peak Cluster: 27
Mon Jul 04 16:14:04.952 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon Jul 04 16:14:04.966 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:14:05.122 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:14:05.135 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:14:05.140 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:14:05.144 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:14:05.146 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:14:05.149 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:14:05.278 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.13 s.
Mon Jul 04 16:14:05.460 CEST 2022: Elapsed time for evaluation (IN Suite): 0.18 s.
Mon Jul 04 16:14:05.511 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:14:05.881 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:14:05.892 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:14:05.894 CEST 2022: CMC-q finished in 1.58 s.
