Wed May 08 10:39:57.469 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 10:39:57.484 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P5_3\1\pdata\1
Wed May 08 10:39:57.516 CEST 2019: Solvent of PROTON: H2O
Wed May 08 10:39:57.531 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 10:39:57.547 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 10:39:57.594 CEST 2019: No HSQC data available
Wed May 08 10:39:57.641 CEST 2019: No C13 data available
Wed May 08 10:39:57.688 CEST 2019: No HMBC data available
Wed May 08 10:39:57.688 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 10:39:57.766 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Wed May 08 10:39:58.486 CEST 2019: Structure is used: true
Wed May 08 10:39:58.501 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P5_3/1/A03.mol
Wed May 08 10:39:58.501 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.71 s.
Wed May 08 10:39:58.546 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 10:39:58.562 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 10:39:58.562 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 10:39:58.578 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 10:39:58.578 CEST 2019: Spectrum is suppressed.
Wed May 08 10:39:58.593 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 10:39:58.609 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 10:39:58.609 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 10:39:58.625 CEST 2019: Expected impurity: TSP
Wed May 08 10:39:58.640 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 10:39:58.656 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 10:39:58.656 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 10:39:58.671 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 10:39:58.671 CEST 2019: RMSD noise: 668.008 (-0.812/-1.312)
Wed May 08 10:39:58.687 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 10:39:58.703 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 10:39:58.718 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:39:58.751 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 10:39:58.922 CEST 2019: Number of Peaks: (35, 21)
Wed May 08 10:39:58.938 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Wed May 08 10:39:58.954 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 10:39:58.954 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 10:39:58.969 CEST 2019: Signal-to-Noise ratio: 421.30 (7.951 ppm)
Wed May 08 10:39:58.985 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 10:39:58.985 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:39:59.000 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.48 s.
Wed May 08 10:39:59.033 CEST 2019: Number of Multiplets: 97
Wed May 08 10:39:59.049 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 10:39:59.127 CEST 2019: Number of Peak Cluster: 14
Wed May 08 10:39:59.127 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 10:39:59.252 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.10 s.
Wed May 08 10:39:59.595 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Wed May 08 10:39:59.627 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 10:39:59.642 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 10:39:59.658 CEST 2019: Number of consistent PNS: 4
Wed May 08 10:39:59.673 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 10:39:59.673 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 10:40:06.842 CEST 2019: Number of ASL: 402
Wed May 08 10:40:06.858 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 7.16 s.
Wed May 08 10:40:07.835 CEST 2019: Elapsed time for evaluation (IN Suite): 0.97 s.
Wed May 08 10:40:07.851 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 10:40:07.867 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 10:40:08.729 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.88 s.
Wed May 08 10:40:08.741 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 10:40:08.749 CEST 2019: CMC-q finished in 11.28 s.
