Mon May 13 13:35:23.132 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:35:23.142 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_D06\1\pdata\1
Mon May 13 13:35:23.162 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:35:23.172 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:35:23.182 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:35:23.202 CEST 2019: No HSQC data available
Mon May 13 13:35:23.222 CEST 2019: No C13 data available
Mon May 13 13:35:23.242 CEST 2019: No HMBC data available
Mon May 13 13:35:23.252 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:35:23.292 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:35:23.922 CEST 2019: Structure is used: true
Mon May 13 13:35:23.952 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_D06/1/0110705813.mol
Mon May 13 13:35:23.962 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.66 s.
Mon May 13 13:35:23.972 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:35:23.982 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:35:23.992 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:35:24.006 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:35:24.012 CEST 2019: Spectrum is suppressed.
Mon May 13 13:35:24.022 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:35:24.032 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:35:24.032 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:35:24.052 CEST 2019: Expected impurity: TSP
Mon May 13 13:35:24.062 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:35:24.062 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 13 13:35:24.072 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 13 13:35:24.082 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:35:24.091 CEST 2019: RMSD noise: 650.934 (-0.812/-1.312)
Mon May 13 13:35:24.102 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:35:24.112 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:35:24.132 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon May 13 13:35:24.192 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 13:35:24.407 CEST 2019: Number of Peaks: (54, 25)
Mon May 13 13:35:24.412 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Mon May 13 13:35:24.422 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:35:24.432 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:35:24.442 CEST 2019: Signal-to-Noise ratio: 3907.00 (2.085 ppm)
Mon May 13 13:35:24.452 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:35:24.461 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:35:24.461 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Mon May 13 13:35:24.512 CEST 2019: Number of Multiplets: 108
Mon May 13 13:35:24.522 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 13 13:35:24.611 CEST 2019: Number of Peak Cluster: 18
Mon May 13 13:35:24.622 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon May 13 13:35:24.702 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Mon May 13 13:35:25.147 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.43 s.
Mon May 13 13:35:25.162 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:35:25.172 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:35:25.192 CEST 2019: Number of consistent PNS: 4
Mon May 13 13:35:25.202 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:35:25.212 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:35:25.432 CEST 2019: Number of ASL: 16
Mon May 13 13:35:25.432 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.22 s.
Mon May 13 13:35:26.302 CEST 2019: Elapsed time for evaluation (IN Suite): 0.86 s.
Mon May 13 13:35:26.332 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:35:26.342 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:35:26.352 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:35:27.067 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.75 s.
Mon May 13 13:35:27.071 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:35:27.082 CEST 2019: CMC-q finished in 3.95 s.
