Mon Jul 04 16:14:12.693 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:14:12.696 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E11_OS_Plate01_E11\1\pdata\1
Mon Jul 04 16:14:12.703 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:14:12.707 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:14:12.710 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:14:12.737 CEST 2022: No HSQC data available
Mon Jul 04 16:14:12.749 CEST 2022: No C13 data available
Mon Jul 04 16:14:12.761 CEST 2022: No HMBC data available
Mon Jul 04 16:14:12.768 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:14:12.789 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:14:12.898 CEST 2022: Structure is used: true
Mon Jul 04 16:14:12.901 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E11_OS_Plate01_E11/1/E11_OS_Plate1_E11-c44d37f5-94ba-4b4f-a57c-9898e732ad22.mol
Mon Jul 04 16:14:12.903 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:14:12.915 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:14:12.917 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:14:12.920 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:14:12.923 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:14:12.925 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:14:12.927 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:14:12.929 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:14:12.934 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:14:12.937 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:14:12.940 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:14:12.942 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:14:12.945 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 16:14:12.947 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:14:12.949 CEST 2022: RMSD noise: 31569656.373 (9.400/8.900)
Mon Jul 04 16:14:12.952 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:14:12.955 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:14:12.959 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:14:12.982 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:14:13.071 CEST 2022: Number of Peaks: (82, 11)
Mon Jul 04 16:14:13.092 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:14:13.095 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:14:13.280 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.18 s.
Mon Jul 04 16:14:13.283 CEST 2022: Signal-to-Noise ratio: 2131.19 (1.215 ppm)
Mon Jul 04 16:14:13.286 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:14:13.288 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:14:13.290 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.38 s.
Mon Jul 04 16:14:13.311 CEST 2022: Number of Multiplets: 160
Mon Jul 04 16:14:13.314 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:14:13.360 CEST 2022: Number of Peak Cluster: 26
Mon Jul 04 16:14:13.366 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:14:13.374 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:14:13.521 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:14:13.532 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:14:13.537 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:14:13.541 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:14:13.543 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:14:13.546 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:14:13.688 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.14 s.
Mon Jul 04 16:14:13.891 CEST 2022: Elapsed time for evaluation (IN Suite): 0.19 s.
Mon Jul 04 16:14:13.942 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:14:14.294 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:14:14.297 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:14:14.300 CEST 2022: CMC-q finished in 1.61 s.
