Wed May 08 11:49:58.400 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:49:58.400 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_13\1\pdata\1
Wed May 08 11:49:58.431 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:49:58.447 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:49:58.447 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:49:58.478 CEST 2019: No HSQC data available
Wed May 08 11:49:58.509 CEST 2019: No C13 data available
Wed May 08 11:49:58.542 CEST 2019: No HMBC data available
Wed May 08 11:49:58.557 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:49:58.615 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:49:59.116 CEST 2019: Structure is used: true
Wed May 08 11:49:59.148 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_13/1/B01.mol
Wed May 08 11:49:59.163 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.53 s.
Wed May 08 11:49:59.183 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:49:59.199 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:49:59.199 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:49:59.214 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:49:59.214 CEST 2019: Spectrum is suppressed.
Wed May 08 11:49:59.230 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:49:59.246 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:49:59.246 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:49:59.261 CEST 2019: Expected impurity: TSP
Wed May 08 11:49:59.277 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:49:59.293 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 11:49:59.294 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 11:49:59.310 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 11:49:59.310 CEST 2019: RMSD noise: 627.876 (10.704/10.204)
Wed May 08 11:49:59.325 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:49:59.341 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:49:59.356 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:49:59.388 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 11:49:59.552 CEST 2019: Number of Peaks: (29, 8)
Wed May 08 11:49:59.552 CEST 2019: Elapsed time for evaluation (PP Suite): 0.15 s.
Wed May 08 11:49:59.568 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:49:59.568 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:49:59.584 CEST 2019: Signal-to-Noise ratio: 13839.37 (1.244 ppm)
Wed May 08 11:49:59.599 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:49:59.615 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:49:59.615 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.45 s.
Wed May 08 11:49:59.646 CEST 2019: Number of Multiplets: 51
Wed May 08 11:49:59.662 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 11:49:59.740 CEST 2019: Number of Peak Cluster: 10
Wed May 08 11:49:59.755 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 11:49:59.865 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.11 s.
Wed May 08 11:50:00.193 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.31 s.
Wed May 08 11:50:00.224 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 11:50:00.224 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 11:50:00.240 CEST 2019: Number of consistent PNS: 0
Wed May 08 11:50:00.255 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:50:00.271 CEST 2019: Number of consistent PNS: 15
Wed May 08 11:50:00.271 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 11:50:00.286 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 11:50:00.302 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:50:00.661 CEST 2019: Elapsed time for evaluation (BU Suite): 0.40 s.
Wed May 08 11:50:00.693 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 11:50:00.693 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 11:50:01.413 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.75 s.
Wed May 08 11:50:01.428 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:50:01.444 CEST 2019: CMC-q finished in 3.04 s.
