Wed May 08 11:46:30.169 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:46:30.169 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_4\1\pdata\1
Wed May 08 11:46:30.200 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:46:30.216 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:46:30.231 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:46:30.279 CEST 2019: No HSQC data available
Wed May 08 11:46:30.342 CEST 2019: No C13 data available
Wed May 08 11:46:30.386 CEST 2019: No HMBC data available
Wed May 08 11:46:30.401 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:46:30.464 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:46:31.107 CEST 2019: Structure is used: true
Wed May 08 11:46:31.138 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_4/1/A04.mol
Wed May 08 11:46:31.154 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.68 s.
Wed May 08 11:46:31.177 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:46:31.193 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:46:31.193 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:46:31.208 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:46:31.224 CEST 2019: Spectrum is suppressed.
Wed May 08 11:46:31.224 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:46:31.240 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:46:31.255 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:46:31.271 CEST 2019: Expected impurity: TSP
Wed May 08 11:46:31.271 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:46:31.288 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 11:46:31.303 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 11:46:31.303 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:46:31.319 CEST 2019: RMSD noise: 683.236 (10.704/10.204)
Wed May 08 11:46:31.335 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:46:31.335 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:46:31.350 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:46:31.397 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 11:46:31.663 CEST 2019: Number of Peaks: (54, 28)
Wed May 08 11:46:31.696 CEST 2019: Elapsed time for evaluation (PP Suite): 0.28 s.
Wed May 08 11:46:31.698 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:46:31.713 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:46:31.713 CEST 2019: Signal-to-Noise ratio: 551.54 (2.909 ppm)
Wed May 08 11:46:31.729 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:46:31.744 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:46:31.744 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.59 s.
Wed May 08 11:46:31.808 CEST 2019: Number of Multiplets: 135
Wed May 08 11:46:31.824 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 11:46:31.918 CEST 2019: Number of Peak Cluster: 16
Wed May 08 11:46:31.933 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Wed May 08 11:46:31.996 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Wed May 08 11:46:32.464 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.45 s.
Wed May 08 11:46:32.480 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 11:46:32.496 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:46:32.511 CEST 2019: Number of consistent PNS: 0
Wed May 08 11:46:32.511 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:46:32.542 CEST 2019: Number of consistent PNS: 35
Wed May 08 11:46:32.558 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.04 s.
Wed May 08 11:46:32.589 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 11:46:32.589 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:46:33.058 CEST 2019: Elapsed time for evaluation (BU Suite): 0.53 s.
Wed May 08 11:46:33.088 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 11:46:33.088 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 11:46:33.854 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.79 s.
Wed May 08 11:46:33.870 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:46:33.870 CEST 2019: CMC-q finished in 3.70 s.
