Mon Jul 04 16:45:02.208 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:45:02.211 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C11_OS_Plate04_C11\1\pdata\1
Mon Jul 04 16:45:02.218 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:45:02.222 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:45:02.225 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:45:02.615 CEST 2022: No HSQC data available
Mon Jul 04 16:45:02.626 CEST 2022: No C13 data available
Mon Jul 04 16:45:02.638 CEST 2022: No HMBC data available
Mon Jul 04 16:45:02.645 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:45:02.666 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:45:02.766 CEST 2022: Structure is used: true
Mon Jul 04 16:45:02.784 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C11_OS_Plate04_C11/1/C11_OS_Plate04_C11-7447bf41-ec53-4bf7-8aeb-94bffbcd0aeb.mol
Mon Jul 04 16:45:02.786 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:45:02.798 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:45:02.800 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:45:02.803 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:45:02.806 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:45:02.808 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:45:02.810 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:45:02.813 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:45:02.818 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:45:02.820 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:45:02.823 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:45:02.825 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:45:02.828 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 16:45:02.830 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:45:02.833 CEST 2022: RMSD noise: 30495544.504 (-2.040/-2.539)
Mon Jul 04 16:45:02.835 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:45:02.838 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:45:02.842 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:45:02.865 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:45:02.932 CEST 2022: Number of Peaks: (52, 23)
Mon Jul 04 16:45:02.935 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:45:02.937 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:45:02.950 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:45:02.953 CEST 2022: Signal-to-Noise ratio: 383.31 (7.491 ppm)
Mon Jul 04 16:45:02.955 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:45:02.958 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:45:02.960 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.17 s.
Mon Jul 04 16:45:02.972 CEST 2022: Number of Multiplets: 81
Mon Jul 04 16:45:02.974 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:45:03.004 CEST 2022: Number of Peak Cluster: 17
Mon Jul 04 16:45:03.010 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.03 s.
Mon Jul 04 16:45:03.015 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:45:03.126 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:45:03.130 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:45:03.134 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:45:03.138 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:45:03.140 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:45:03.143 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:45:03.230 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.08 s.
Mon Jul 04 16:45:03.345 CEST 2022: Elapsed time for evaluation (IN Suite): 0.10 s.
Mon Jul 04 16:45:03.399 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:45:03.743 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:45:03.747 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:45:03.749 CEST 2022: CMC-q finished in 1.54 s.
