Wed May 08 16:20:19.978 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:20:19.994 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_F01\1\pdata\1
Wed May 08 16:20:20.009 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:20:20.034 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:20:20.034 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:20:20.081 CEST 2019: No HSQC data available
Wed May 08 16:20:20.128 CEST 2019: No C13 data available
Wed May 08 16:20:20.174 CEST 2019: No HMBC data available
Wed May 08 16:20:20.190 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 16:20:20.253 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 16:20:21.035 CEST 2019: Structure is used: true
Wed May 08 16:20:21.051 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_F01/1/F01.mol
Wed May 08 16:20:21.068 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.79 s.
Wed May 08 16:20:21.084 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:20:21.099 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:20:21.099 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:20:21.115 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:20:21.130 CEST 2019: Spectrum is suppressed.
Wed May 08 16:20:21.130 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:20:21.146 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:20:21.146 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:20:21.162 CEST 2019: Expected impurity: TSP
Wed May 08 16:20:21.177 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:20:21.193 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 16:20:21.193 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 16:20:21.209 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:20:21.224 CEST 2019: RMSD noise: 698.586 (1.009/0.509)
Wed May 08 16:20:21.224 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:20:21.240 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:20:21.255 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:20:21.304 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:20:21.460 CEST 2019: Number of Peaks: (35, 16)
Wed May 08 16:20:21.491 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 16:20:21.491 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:20:21.507 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:20:21.522 CEST 2019: Signal-to-Noise ratio: 1618.73 (2.075 ppm)
Wed May 08 16:20:21.522 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:20:21.538 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:20:21.554 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.47 s.
Wed May 08 16:20:21.569 CEST 2019: Number of Multiplets: 48
Wed May 08 16:20:21.585 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.02 s.
Wed May 08 16:20:21.647 CEST 2019: Number of Peak Cluster: 16
Wed May 08 16:20:21.663 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 16:20:21.710 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 16:20:22.069 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Wed May 08 16:20:22.085 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:20:22.100 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:20:22.116 CEST 2019: Number of consistent PNS: 7
Wed May 08 16:20:22.116 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:20:22.131 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:20:22.225 CEST 2019: Number of ASL: 8
Wed May 08 16:20:22.241 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.09 s.
Wed May 08 16:20:22.335 CEST 2019: Elapsed time for evaluation (IN Suite): 0.09 s.
Wed May 08 16:20:22.366 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:20:22.381 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:20:23.180 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.82 s.
Wed May 08 16:20:23.196 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:20:23.196 CEST 2019: CMC-q finished in 3.22 s.
