Mon Jul 04 16:21:52.659 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:21:52.661 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\D5_OS_Plate011_D5\1\pdata\1
Mon Jul 04 16:21:52.669 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:21:52.673 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:21:52.675 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:21:52.703 CEST 2022: No HSQC data available
Mon Jul 04 16:21:52.717 CEST 2022: No C13 data available
Mon Jul 04 16:21:52.730 CEST 2022: No HMBC data available
Mon Jul 04 16:21:52.761 CEST 2022: Elapsed time for evaluation (XD Suite): 0.03 s.
Mon Jul 04 16:21:52.784 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:21:52.903 CEST 2022: Structure is used: true
Mon Jul 04 16:21:52.907 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/D5_OS_Plate011_D5/1/D5_OS_Plate11_D5-21ef2a6b-510f-4826-af99-0a949ac8e5ee.mol
Mon Jul 04 16:21:52.909 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.12 s.
Mon Jul 04 16:21:52.921 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:21:52.923 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:21:52.926 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:21:52.929 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:21:52.931 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:21:52.934 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:21:52.936 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:21:52.940 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:21:52.943 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:21:52.946 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:21:52.949 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:21:52.952 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 16:21:52.954 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:21:52.956 CEST 2022: RMSD noise: 29895118.717 (-1.222/-1.722)
Mon Jul 04 16:21:52.959 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:21:52.962 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:21:52.966 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:21:52.990 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:21:53.064 CEST 2022: Number of Peaks: (71, 17)
Mon Jul 04 16:21:53.067 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:21:53.070 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:21:53.117 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:21:53.143 CEST 2022: Signal-to-Noise ratio: 834.37 (7.406 ppm)
Mon Jul 04 16:21:53.146 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:21:53.149 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:21:53.151 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.24 s.
Mon Jul 04 16:21:53.164 CEST 2022: Number of Multiplets: 93
Mon Jul 04 16:21:53.166 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:21:53.333 CEST 2022: Number of Peak Cluster: 28
Mon Jul 04 16:21:53.339 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.17 s.
Mon Jul 04 16:21:53.345 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:21:53.481 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.13 s.
Mon Jul 04 16:21:53.486 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:21:53.490 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:21:53.495 CEST 2022: Number of consistent PNS: 6
Mon Jul 04 16:21:53.498 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:21:53.501 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:21:53.515 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:21:53.601 CEST 2022: Elapsed time for evaluation (IN Suite): 0.08 s.
Mon Jul 04 16:21:53.653 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:21:53.656 CEST 2022: Impurity 13C satellite filter active!
Mon Jul 04 16:21:54.029 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Mon Jul 04 16:21:54.032 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:21:54.035 CEST 2022: CMC-q finished in 1.38 s.
