Wed May 08 11:34:01.294 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:34:01.309 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_86\1\pdata\1
Wed May 08 11:34:01.325 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:34:01.341 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:34:01.356 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:34:01.403 CEST 2019: No HSQC data available
Wed May 08 11:34:01.450 CEST 2019: No C13 data available
Wed May 08 11:34:01.497 CEST 2019: No HMBC data available
Wed May 08 11:34:01.512 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:34:01.559 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:34:02.047 CEST 2019: Structure is used: true
Wed May 08 11:34:02.079 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_86/1/H02.mol
Wed May 08 11:34:02.094 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.52 s.
Wed May 08 11:34:02.110 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:34:02.125 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:34:02.141 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:34:02.141 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:34:02.157 CEST 2019: Spectrum is suppressed.
Wed May 08 11:34:02.172 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:34:02.172 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:34:02.188 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:34:02.203 CEST 2019: Expected impurity: TSP
Wed May 08 11:34:02.220 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:34:02.220 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp1, protonShiftLimitAPpm=2.4, protonShiftLimitBPpm=2.5, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 11:34:02.236 CEST 2019: Expected impurity: CustomImpurity [isActive=true, identifier=Imp2, protonShiftLimitAPpm=2.7, protonShiftLimitBPpm=2.76, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Wed May 08 11:34:02.252 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:34:02.252 CEST 2019: RMSD noise: 695.521 (1.009/0.509)
Wed May 08 11:34:02.267 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:34:02.283 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:34:02.299 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:34:02.345 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 11:34:02.595 CEST 2019: Number of Peaks: (62, 25)
Wed May 08 11:34:02.649 CEST 2019: Elapsed time for evaluation (PP Suite): 0.29 s.
Wed May 08 11:34:02.649 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:34:02.664 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:34:02.680 CEST 2019: Signal-to-Noise ratio: 2126.41 (1.309 ppm)
Wed May 08 11:34:02.680 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:34:02.695 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:34:02.711 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.61 s.
Wed May 08 11:34:02.775 CEST 2019: Number of Multiplets: 147
Wed May 08 11:34:02.813 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.09 s.
Wed May 08 11:34:02.923 CEST 2019: Number of Peak Cluster: 16
Wed May 08 11:34:02.939 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Wed May 08 11:34:03.183 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.24 s.
Wed May 08 11:34:03.667 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.46 s.
Wed May 08 11:34:03.683 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 11:34:03.698 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:34:03.714 CEST 2019: Number of consistent PNS: 2
Wed May 08 11:34:03.730 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:34:03.745 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 11:34:09.121 CEST 2019: Number of ASL: 144
Wed May 08 11:34:09.152 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 5.38 s.
Wed May 08 11:34:09.824 CEST 2019: Elapsed time for evaluation (IN Suite): 0.66 s.
Wed May 08 11:34:09.864 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 11:34:09.880 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 11:34:10.650 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.83 s.
Wed May 08 11:34:10.665 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:34:10.681 CEST 2019: CMC-q finished in 9.39 s.
