Mon Jul 04 16:34:00.956 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:34:00.959 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C2_OS_Plate03_C2\1\pdata\1
Mon Jul 04 16:34:00.966 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:34:00.970 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:34:00.973 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:34:01.086 CEST 2022: No HSQC data available
Mon Jul 04 16:34:01.099 CEST 2022: No C13 data available
Mon Jul 04 16:34:01.112 CEST 2022: No HMBC data available
Mon Jul 04 16:34:01.119 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:34:01.144 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:34:01.311 CEST 2022: Structure is used: true
Mon Jul 04 16:34:01.314 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C2_OS_Plate03_C2/1/C2_OS_Plate03_C2-77f58292-5938-4b59-930b-e6575f510756.mol
Mon Jul 04 16:34:01.317 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.17 s.
Mon Jul 04 16:34:01.384 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:34:01.386 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.07 s.
Mon Jul 04 16:34:01.390 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:34:01.393 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:34:01.395 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:34:01.397 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:34:01.400 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:34:01.405 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:34:01.407 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:34:01.411 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:34:01.413 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:34:01.416 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 16:34:01.418 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:34:01.421 CEST 2022: RMSD noise: 30388175.469 (6.949/6.449)
Mon Jul 04 16:34:01.423 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:34:01.426 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:34:01.430 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:34:01.455 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:34:01.590 CEST 2022: Number of Peaks: (120, 12)
Mon Jul 04 16:34:01.615 CEST 2022: Elapsed time for evaluation (PP Suite): 0.16 s.
Mon Jul 04 16:34:01.617 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:34:01.631 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:34:01.633 CEST 2022: Signal-to-Noise ratio: 9445.79 (7.609 ppm)
Mon Jul 04 16:34:01.637 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:34:01.639 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:34:01.641 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.32 s.
Mon Jul 04 16:34:01.682 CEST 2022: Number of Multiplets: 192
Mon Jul 04 16:34:01.686 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon Jul 04 16:34:01.750 CEST 2022: Number of Peak Cluster: 30
Mon Jul 04 16:34:01.756 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:34:01.773 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:34:01.988 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.21 s.
Mon Jul 04 16:34:02.008 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Mon Jul 04 16:34:02.013 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:34:02.018 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:34:02.021 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:34:02.024 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:34:02.136 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.11 s.
Mon Jul 04 16:34:02.789 CEST 2022: Elapsed time for evaluation (IN Suite): 0.65 s.
Mon Jul 04 16:34:02.850 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:34:03.205 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:34:03.208 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:34:03.210 CEST 2022: CMC-q finished in 2.25 s.
