Tue Jul 05 12:09:57.010 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Tue Jul 05 12:09:57.012 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E6_EUOS_Plate07_E6\1\pdata\1
Tue Jul 05 12:09:57.020 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Tue Jul 05 12:09:57.023 CEST 2022: TD: 32768 SI: 65536 SW: 13.663
Tue Jul 05 12:09:57.026 CEST 2022: PT/PPM: 4796.3850 PT/Hz: 7.9953
Tue Jul 05 12:09:57.059 CEST 2022: No HSQC data available
Tue Jul 05 12:09:57.071 CEST 2022: No C13 data available
Tue Jul 05 12:09:57.084 CEST 2022: No HMBC data available
Tue Jul 05 12:09:57.093 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Tue Jul 05 12:09:57.114 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Tue Jul 05 12:09:57.217 CEST 2022: Structure is used: true
Tue Jul 05 12:09:57.220 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E6_EUOS_Plate07_E6/1/E6_EUOS_Plate07_E6-82b43ee5-0f07-4ebf-9e35-0372374f3f94.mol
Tue Jul 05 12:09:57.223 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Tue Jul 05 12:09:57.233 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Tue Jul 05 12:09:57.236 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Tue Jul 05 12:09:57.239 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Tue Jul 05 12:09:57.242 CEST 2022: Spectrum is not 13C decoupled.
Tue Jul 05 12:09:57.244 CEST 2022: Spectrum does not contain ERETIC signal.
Tue Jul 05 12:09:57.246 CEST 2022: Spectrum is suppressed.
Tue Jul 05 12:09:57.249 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Tue Jul 05 12:09:57.253 CEST 2022: Suppression frequencies at: 4.661 
Tue Jul 05 12:09:57.256 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Tue Jul 05 12:09:57.259 CEST 2022: Expected impurity: TMS
Tue Jul 05 12:09:57.262 CEST 2022: Expected impurity: DMSO_D5
Tue Jul 05 12:09:57.263 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]
Tue Jul 05 12:09:57.266 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DSS, protonShiftLimitAPpm=-0.5, protonShiftLimitBPpm=0.1, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Tue Jul 05 12:09:57.268 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Tue Jul 05 12:09:57.271 CEST 2022: RMSD noise: 18503797.189 (5.951/5.451)
Tue Jul 05 12:09:57.273 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Tue Jul 05 12:09:57.276 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Tue Jul 05 12:09:57.279 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Tue Jul 05 12:09:57.304 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Tue Jul 05 12:09:57.444 CEST 2022: Number of Peaks: (141, 11)
Tue Jul 05 12:09:57.447 CEST 2022: Elapsed time for evaluation (PP Suite): 0.14 s.
Tue Jul 05 12:09:57.450 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Tue Jul 05 12:09:57.480 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Tue Jul 05 12:09:57.482 CEST 2022: Signal-to-Noise ratio: 8384.35 (2.945 ppm)
Tue Jul 05 12:09:57.485 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Tue Jul 05 12:09:57.488 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:09:57.490 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Tue Jul 05 12:09:57.532 CEST 2022: Number of Multiplets: 225
Tue Jul 05 12:09:57.560 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.07 s.
Tue Jul 05 12:09:57.649 CEST 2022: Number of Peak Cluster: 42
Tue Jul 05 12:09:57.655 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.09 s.
Tue Jul 05 12:09:57.673 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Tue Jul 05 12:09:57.867 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.19 s.
Tue Jul 05 12:09:57.881 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Tue Jul 05 12:09:57.887 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Tue Jul 05 12:09:57.892 CEST 2022: Number of consistent PNS: 6
Tue Jul 05 12:09:57.895 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Tue Jul 05 12:09:57.897 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Tue Jul 05 12:09:57.923 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.02 s.
Tue Jul 05 12:09:58.068 CEST 2022: Elapsed time for evaluation (IN Suite): 0.14 s.
Tue Jul 05 12:09:58.122 CEST 2022: CMC-assist project state: AutoConsistent
Tue Jul 05 12:09:58.125 CEST 2022: Impurity 13C satellite filter active!
Tue Jul 05 12:09:58.492 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.42 s.
Tue Jul 05 12:09:58.495 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Tue Jul 05 12:09:58.498 CEST 2022: CMC-q finished in 1.49 s.
