Mon Jul 04 16:21:10.739 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:21:10.741 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G3_OS_Plate011_G3\1\pdata\1
Mon Jul 04 16:21:10.749 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:21:10.753 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:21:10.755 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:21:11.362 CEST 2022: No HSQC data available
Mon Jul 04 16:21:11.374 CEST 2022: No C13 data available
Mon Jul 04 16:21:11.386 CEST 2022: No HMBC data available
Mon Jul 04 16:21:11.404 CEST 2022: Elapsed time for evaluation (XD Suite): 0.02 s.
Mon Jul 04 16:21:11.723 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.32 s.
Mon Jul 04 16:21:11.822 CEST 2022: Structure is used: true
Mon Jul 04 16:21:11.825 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G3_OS_Plate011_G3/1/G3_OS_Plate11_G3-d8063ebf-53e4-4cf2-bba8-7a0ce7a37ffd.mol
Mon Jul 04 16:21:11.827 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:21:11.849 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:21:11.852 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.02 s.
Mon Jul 04 16:21:11.855 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:21:11.858 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:21:11.860 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:21:11.863 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:21:11.865 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:21:11.871 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:21:11.873 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:21:11.876 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:21:11.879 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:21:11.881 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 16:21:11.884 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:21:11.886 CEST 2022: RMSD noise: 30882053.964 (-0.405/-0.905)
Mon Jul 04 16:21:11.889 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:21:11.892 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:21:11.896 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:21:11.920 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:21:11.993 CEST 2022: Number of Peaks: (61, 13)
Mon Jul 04 16:21:11.996 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:21:11.999 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:21:12.055 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:21:12.058 CEST 2022: Signal-to-Noise ratio: 782.52 (7.506 ppm)
Mon Jul 04 16:21:12.061 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:21:12.064 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:21:12.066 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.24 s.
Mon Jul 04 16:21:12.082 CEST 2022: Number of Multiplets: 107
Mon Jul 04 16:21:12.085 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:21:12.234 CEST 2022: Number of Peak Cluster: 24
Mon Jul 04 16:21:12.240 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.15 s.
Mon Jul 04 16:21:12.259 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 16:21:12.376 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.11 s.
Mon Jul 04 16:21:12.383 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:21:12.388 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:21:12.392 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:21:12.395 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:21:12.398 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:21:12.497 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.10 s.
Mon Jul 04 16:21:12.658 CEST 2022: Elapsed time for evaluation (IN Suite): 0.13 s.
Mon Jul 04 16:21:12.732 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:21:13.090 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.43 s.
Mon Jul 04 16:21:13.093 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:21:13.095 CEST 2022: CMC-q finished in 2.36 s.
