Mon May 13 14:04:28.223 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 14:04:28.232 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_D01\1\pdata\1
Mon May 13 14:04:28.253 CEST 2019: Solvent of PROTON: H2O
Mon May 13 14:04:28.260 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 14:04:28.273 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 14:04:28.298 CEST 2019: No HSQC data available
Mon May 13 14:04:28.318 CEST 2019: No C13 data available
Mon May 13 14:04:28.338 CEST 2019: No HMBC data available
Mon May 13 14:04:28.348 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 14:04:28.398 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 14:04:29.423 CEST 2019: Structure is used: true
Mon May 13 14:04:29.458 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_D01/1/0110706000.mol
Mon May 13 14:04:29.468 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 1.06 s.
Mon May 13 14:04:29.488 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 14:04:29.498 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 14:04:29.508 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 14:04:29.518 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 14:04:29.528 CEST 2019: Spectrum is suppressed.
Mon May 13 14:04:29.538 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 14:04:29.548 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 14:04:29.558 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 14:04:29.568 CEST 2019: Expected impurity: TSP
Mon May 13 14:04:29.578 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 14:04:29.588 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 14:04:29.598 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 14:04:29.608 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 14:04:29.618 CEST 2019: RMSD noise: 643.802 (-0.203/-0.703)
Mon May 13 14:04:29.628 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 14:04:29.638 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 14:04:29.658 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:04:29.708 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 14:04:29.958 CEST 2019: Number of Peaks: (61, 21)
Mon May 13 14:04:29.988 CEST 2019: Elapsed time for evaluation (PP Suite): 0.27 s.
Mon May 13 14:04:29.998 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 14:04:30.008 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 14:04:30.018 CEST 2019: Signal-to-Noise ratio: 4326.25 (1.139 ppm)
Mon May 13 14:04:30.033 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 14:04:30.038 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:04:30.048 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.57 s.
Mon May 13 14:04:30.108 CEST 2019: Number of Multiplets: 126
Mon May 13 14:04:30.128 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.06 s.
Mon May 13 14:04:30.238 CEST 2019: Number of Peak Cluster: 20
Mon May 13 14:04:30.248 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.12 s.
Mon May 13 14:04:30.473 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.21 s.
Mon May 13 14:04:30.968 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.49 s.
Mon May 13 14:04:30.978 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 14:04:30.998 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 14:04:31.008 CEST 2019: Number of consistent PNS: 4
Mon May 13 14:04:31.018 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Mon May 13 14:04:31.048 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Mon May 13 14:04:41.938 CEST 2019: Number of ASL: 71
Mon May 13 14:04:41.963 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 10.90 s.
Mon May 13 14:04:42.673 CEST 2019: Elapsed time for evaluation (IN Suite): 0.70 s.
Mon May 13 14:04:42.698 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 14:04:42.708 CEST 2019: Impurity 13C satellite filter active!
Mon May 13 14:04:43.529 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.84 s.
Mon May 13 14:04:43.538 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 14:04:43.548 CEST 2019: CMC-q finished in 15.33 s.
