Wed May 08 16:00:57.786 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:00:57.802 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_A03\1\pdata\1
Wed May 08 16:00:57.817 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:00:57.833 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:00:57.849 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:00:57.880 CEST 2019: No HSQC data available
Wed May 08 16:00:57.911 CEST 2019: No C13 data available
Wed May 08 16:00:57.958 CEST 2019: No HMBC data available
Wed May 08 16:00:57.958 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:00:58.016 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:00:58.564 CEST 2019: Structure is used: true
Wed May 08 16:00:58.579 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_A03/1/A03.mol
Wed May 08 16:00:58.595 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.57 s.
Wed May 08 16:00:58.610 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:00:58.610 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:00:58.626 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:00:58.642 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:00:58.642 CEST 2019: Spectrum is suppressed.
Wed May 08 16:00:58.657 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:00:58.657 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:00:58.673 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:00:58.689 CEST 2019: Expected impurity: TSP
Wed May 08 16:00:58.689 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:00:58.700 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 16:00:58.716 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 16:00:58.716 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:00:58.732 CEST 2019: RMSD noise: 765.503 (0.403/-0.097)
Wed May 08 16:00:58.732 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:00:58.747 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:00:58.763 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:00:58.794 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 16:00:58.952 CEST 2019: Number of Peaks: (43, 21)
Wed May 08 16:00:58.983 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 16:00:58.983 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:00:58.998 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:00:58.998 CEST 2019: Signal-to-Noise ratio: 1103.92 (5.341 ppm)
Wed May 08 16:00:59.014 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:00:59.030 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:00:59.030 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.43 s.
Wed May 08 16:00:59.077 CEST 2019: Number of Multiplets: 111
Wed May 08 16:00:59.091 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 16:00:59.154 CEST 2019: Number of Peak Cluster: 15
Wed May 08 16:00:59.154 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 16:00:59.216 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.04 s.
Wed May 08 16:00:59.516 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Wed May 08 16:00:59.547 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:00:59.547 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:00:59.563 CEST 2019: Number of consistent PNS: 7
Wed May 08 16:00:59.578 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:00:59.594 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:00:59.656 CEST 2019: Number of ASL: 12
Wed May 08 16:00:59.656 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.07 s.
Wed May 08 16:00:59.903 CEST 2019: Elapsed time for evaluation (IN Suite): 0.22 s.
Wed May 08 16:01:00.271 CEST 2019: Elapsed time for evaluation (BU Suite): 0.36 s.
Wed May 08 16:01:00.287 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 16:01:00.303 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Wed May 08 16:01:00.897 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.62 s.
Wed May 08 16:01:00.913 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:01:00.913 CEST 2019: CMC-q finished in 3.13 s.
