Mon May 13 13:41:33.591 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:41:33.601 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_F06\1\pdata\1
Mon May 13 13:41:33.621 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:41:33.631 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:41:33.641 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:41:33.661 CEST 2019: No HSQC data available
Mon May 13 13:41:33.671 CEST 2019: No C13 data available
Mon May 13 13:41:33.691 CEST 2019: No HMBC data available
Mon May 13 13:41:33.701 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:41:33.741 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:41:34.158 CEST 2019: Structure is used: true
Mon May 13 13:41:34.191 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_F06/1/0110705789.mol
Mon May 13 13:41:34.191 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.44 s.
Mon May 13 13:41:34.211 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:41:34.221 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:41:34.221 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:41:34.231 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:41:34.241 CEST 2019: Spectrum is suppressed.
Mon May 13 13:41:34.251 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:41:34.258 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:41:34.261 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:41:34.271 CEST 2019: Expected impurity: TSP
Mon May 13 13:41:34.281 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:41:34.291 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 13:41:34.301 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 13:41:34.311 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:41:34.311 CEST 2019: RMSD noise: 657.218 (-0.812/-1.312)
Mon May 13 13:41:34.321 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:41:34.331 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:41:34.341 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:41:34.381 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:41:34.581 CEST 2019: Number of Peaks: (65, 15)
Mon May 13 13:41:34.591 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Mon May 13 13:41:34.601 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:41:34.601 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:41:34.611 CEST 2019: Signal-to-Noise ratio: 3466.21 (2.079 ppm)
Mon May 13 13:41:34.621 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:41:34.631 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:41:34.631 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Mon May 13 13:41:34.701 CEST 2019: Number of Multiplets: 155
Mon May 13 13:41:34.711 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 13 13:41:34.821 CEST 2019: Number of Peak Cluster: 26
Mon May 13 13:41:34.834 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Mon May 13 13:41:35.121 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.29 s.
Mon May 13 13:41:35.451 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Mon May 13 13:41:35.481 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:41:35.491 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:41:35.501 CEST 2019: Number of consistent PNS: 4
Mon May 13 13:41:35.511 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:41:35.541 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon May 13 13:41:36.086 CEST 2019: Number of ASL: 48
Mon May 13 13:41:36.091 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.55 s.
Mon May 13 13:41:36.472 CEST 2019: Elapsed time for evaluation (IN Suite): 0.37 s.
Mon May 13 13:41:36.491 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:41:36.501 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 13:41:37.111 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.63 s.
Mon May 13 13:41:37.111 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:41:37.121 CEST 2019: CMC-q finished in 3.53 s.
