Mon May 06 22:59:27.953 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 22:59:27.953 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\66\pdata\1
Mon May 06 22:59:27.984 CEST 2019: Solvent of PROTON: H2O
Mon May 06 22:59:28.000 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 22:59:28.000 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 22:59:28.031 CEST 2019: No HSQC data available
Mon May 06 22:59:28.046 CEST 2019: No C13 data available
Mon May 06 22:59:28.078 CEST 2019: No HMBC data available
Mon May 06 22:59:28.078 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 22:59:28.154 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Mon May 06 22:59:29.077 CEST 2019: Structure is used: true
Mon May 06 22:59:29.108 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/66/F06.mol
Mon May 06 22:59:29.108 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.95 s.
Mon May 06 22:59:29.124 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 22:59:29.140 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 22:59:29.155 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 22:59:29.155 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 22:59:29.171 CEST 2019: Spectrum is suppressed.
Mon May 06 22:59:29.187 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 22:59:29.187 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 22:59:29.208 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 22:59:29.217 CEST 2019: Expected impurity: TSP
Mon May 06 22:59:29.233 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 22:59:29.233 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]
Mon May 06 22:59:29.249 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]
Mon May 06 22:59:29.264 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 22:59:29.264 CEST 2019: RMSD noise: 668.081 (-0.203/-0.703)
Mon May 06 22:59:29.280 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 22:59:29.295 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 22:59:29.311 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:59:29.342 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 22:59:29.954 CEST 2019: Number of Peaks: (141, 45)
Mon May 06 22:59:29.985 CEST 2019: Elapsed time for evaluation (PP Suite): 0.62 s.
Mon May 06 22:59:29.985 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 22:59:30.001 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 22:59:30.016 CEST 2019: Signal-to-Noise ratio: 1426.04 (1.215 ppm)
Mon May 06 22:59:30.016 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 22:59:30.032 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:59:30.048 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.92 s.
Mon May 06 22:59:31.095 CEST 2019: Number of Multiplets: 395
Mon May 06 22:59:31.127 CEST 2019: Elapsed time for evaluation (MMG Suite): 1.07 s.
Mon May 06 22:59:32.142 CEST 2019: Number of Peak Cluster: 16
Mon May 06 22:59:32.157 CEST 2019: Elapsed time for evaluation (PCG Suite): 1.02 s.
Mon May 06 22:59:32.221 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Mon May 06 22:59:33.268 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 1.03 s.
Mon May 06 22:59:33.330 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.05 s.
Mon May 06 22:59:33.346 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 22:59:33.377 CEST 2019: Number of consistent PNS: 6
Mon May 06 22:59:33.392 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.05 s.
Mon May 06 22:59:33.408 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 22:59:46.425 CEST 2019: Number of ASL: 201
Mon May 06 22:59:46.441 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 13.01 s.
Mon May 06 22:59:52.051 CEST 2019: Elapsed time for evaluation (IN Suite): 5.60 s.
Mon May 06 22:59:52.098 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 22:59:52.098 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 22:59:52.879 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.81 s.
Mon May 06 22:59:52.894 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 22:59:52.910 CEST 2019: CMC-q finished in 24.96 s.
