Mon May 13 13:55:38.524 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:55:38.529 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P3_A05\1\pdata\1
Mon May 13 13:55:38.549 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:55:38.564 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:55:38.569 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:55:38.589 CEST 2019: No HSQC data available
Mon May 13 13:55:38.609 CEST 2019: No C13 data available
Mon May 13 13:55:38.629 CEST 2019: No HMBC data available
Mon May 13 13:55:38.639 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:55:38.679 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:55:39.009 CEST 2019: Structure is used: true
Mon May 13 13:55:39.039 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P3_A05/1/0110706043.mol
Mon May 13 13:55:39.049 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.36 s.
Mon May 13 13:55:39.069 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:55:39.079 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:55:39.079 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:55:39.089 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:55:39.103 CEST 2019: Spectrum is suppressed.
Mon May 13 13:55:39.114 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:55:39.119 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:55:39.129 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:55:39.144 CEST 2019: Expected impurity: TSP
Mon May 13 13:55:39.149 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:55:39.159 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]
Mon May 13 13:55:39.169 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]
Mon May 13 13:55:39.179 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:55:39.189 CEST 2019: RMSD noise: 741.774 (6.462/5.963)
Mon May 13 13:55:39.189 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:55:39.209 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:55:39.219 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:55:39.259 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:55:39.459 CEST 2019: Number of Peaks: (55, 5)
Mon May 13 13:55:39.469 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Mon May 13 13:55:39.479 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:55:39.489 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:55:39.499 CEST 2019: Signal-to-Noise ratio: 1696.19 (1.354 ppm)
Mon May 13 13:55:39.509 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:55:39.519 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:55:39.529 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.47 s.
Mon May 13 13:55:39.569 CEST 2019: Number of Multiplets: 103
Mon May 13 13:55:39.581 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Mon May 13 13:55:39.689 CEST 2019: Number of Peak Cluster: 24
Mon May 13 13:55:39.699 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.10 s.
Mon May 13 13:55:39.779 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Mon May 13 13:55:40.129 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.34 s.
Mon May 13 13:55:40.159 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:55:40.169 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:55:40.179 CEST 2019: Number of consistent PNS: 2
Mon May 13 13:55:40.194 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:55:40.204 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 13 13:55:40.234 CEST 2019: Number of ASL: 12
Mon May 13 13:55:40.239 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon May 13 13:55:40.449 CEST 2019: Elapsed time for evaluation (IN Suite): 0.19 s.
Mon May 13 13:55:40.469 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 13 13:55:41.109 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.66 s.
Mon May 13 13:55:41.119 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:55:41.129 CEST 2019: CMC-q finished in 2.60 s.