Wed May 08 16:09:13.944 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:09:13.966 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_C05\1\pdata\1
Wed May 08 16:09:13.981 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:09:13.997 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:09:14.013 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:09:14.066 CEST 2019: No HSQC data available
Wed May 08 16:09:14.097 CEST 2019: No C13 data available
Wed May 08 16:09:14.130 CEST 2019: No HMBC data available
Wed May 08 16:09:14.145 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:09:14.213 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:09:15.059 CEST 2019: Structure is used: true
Wed May 08 16:09:15.074 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_C05/1/C05.mol
Wed May 08 16:09:15.090 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.87 s.
Wed May 08 16:09:15.112 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:09:15.128 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:09:15.128 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:09:15.143 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:09:15.159 CEST 2019: Spectrum is suppressed.
Wed May 08 16:09:15.159 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:09:15.175 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:09:15.175 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:09:15.190 CEST 2019: Expected impurity: TSP
Wed May 08 16:09:15.212 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:09:15.212 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 16:09:15.228 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 16:09:15.228 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:09:15.244 CEST 2019: RMSD noise: 684.439 (1.009/0.509)
Wed May 08 16:09:15.244 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:09:15.259 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:09:15.275 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:09:15.313 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:09:15.560 CEST 2019: Number of Peaks: (45, 23)
Wed May 08 16:09:15.576 CEST 2019: Elapsed time for evaluation (PP Suite): 0.25 s.
Wed May 08 16:09:15.591 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:09:15.591 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:09:15.613 CEST 2019: Signal-to-Noise ratio: 3591.44 (2.073 ppm)
Wed May 08 16:09:15.613 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:09:15.629 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:09:15.629 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.54 s.
Wed May 08 16:09:15.676 CEST 2019: Number of Multiplets: 100
Wed May 08 16:09:15.692 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 16:09:15.776 CEST 2019: Number of Peak Cluster: 17
Wed May 08 16:09:15.792 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 16:09:15.876 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.08 s.
Wed May 08 16:09:16.234 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Wed May 08 16:09:16.249 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:09:16.281 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:09:16.296 CEST 2019: Number of consistent PNS: 4
Wed May 08 16:09:16.296 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:09:16.312 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:09:28.993 CEST 2019: Number of ASL: 405
Wed May 08 16:09:29.008 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 12.68 s.
Wed May 08 16:09:29.559 CEST 2019: Elapsed time for evaluation (IN Suite): 0.54 s.
Wed May 08 16:09:29.590 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:09:29.606 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:09:30.434 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.86 s.
Wed May 08 16:09:30.449 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:09:30.465 CEST 2019: CMC-q finished in 16.52 s.
