Wed May 08 11:58:58.975 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 11:58:58.975 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_35\1\pdata\1
Wed May 08 11:58:58.991 CEST 2019: Solvent of PROTON: H2O
Wed May 08 11:58:59.007 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 11:58:59.022 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 11:58:59.086 CEST 2019: No HSQC data available
Wed May 08 11:58:59.146 CEST 2019: No C13 data available
Wed May 08 11:58:59.210 CEST 2019: No HMBC data available
Wed May 08 11:58:59.226 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 11:58:59.283 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 11:58:59.990 CEST 2019: Structure is used: true
Wed May 08 11:59:00.021 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_35/1/C11.mol
Wed May 08 11:59:00.037 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.75 s.
Wed May 08 11:59:00.063 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 11:59:00.079 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 11:59:00.079 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 11:59:00.095 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 11:59:00.110 CEST 2019: Spectrum is suppressed.
Wed May 08 11:59:00.110 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 11:59:00.126 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 11:59:00.141 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 11:59:00.157 CEST 2019: Expected impurity: TSP
Wed May 08 11:59:00.174 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 11:59:00.174 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 11:59:00.190 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 11:59:00.205 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Wed May 08 11:59:00.205 CEST 2019: RMSD noise: 631.984 (10.704/10.204)
Wed May 08 11:59:00.221 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 11:59:00.236 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 11:59:00.252 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:59:00.283 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 11:59:01.033 CEST 2019: Number of Peaks: (185, 48)
Wed May 08 11:59:01.064 CEST 2019: Elapsed time for evaluation (PP Suite): 0.76 s.
Wed May 08 11:59:01.080 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 11:59:01.080 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 11:59:01.096 CEST 2019: Signal-to-Noise ratio: 1137.45 (0.835 ppm)
Wed May 08 11:59:01.111 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 11:59:01.111 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:59:01.127 CEST 2019: Elapsed time for evaluation (PRE Suite): 1.08 s.
Wed May 08 11:59:03.064 CEST 2019: Number of Multiplets: 587
Wed May 08 11:59:03.080 CEST 2019: Elapsed time for evaluation (MMG Suite): 1.95 s.
Wed May 08 11:59:03.473 CEST 2019: Number of Peak Cluster: 24
Wed May 08 11:59:03.473 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.38 s.
Wed May 08 11:59:03.598 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.12 s.
Wed May 08 11:59:05.040 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 1.43 s.
Wed May 08 11:59:05.087 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 11:59:05.103 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 11:59:05.119 CEST 2019: Number of consistent PNS: 0
Wed May 08 11:59:05.134 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 11:59:05.212 CEST 2019: Number of consistent PNS: 55
Wed May 08 11:59:05.228 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.08 s.
Wed May 08 11:59:06.683 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 1.44 s.
Wed May 08 11:59:06.699 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:59:14.174 CEST 2019: Elapsed time for evaluation (BU Suite): 9.03 s.
Wed May 08 11:59:14.202 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 11:59:14.202 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 11:59:15.081 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.90 s.
Wed May 08 11:59:15.097 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 11:59:15.112 CEST 2019: CMC-q finished in 16.14 s.
