Wed May 08 16:04:21.186 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:04:21.201 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_B02\1\pdata\1
Wed May 08 16:04:21.217 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:04:21.233 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:04:21.248 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:04:21.295 CEST 2019: No HSQC data available
Wed May 08 16:04:21.326 CEST 2019: No C13 data available
Wed May 08 16:04:21.358 CEST 2019: No HMBC data available
Wed May 08 16:04:21.373 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:04:21.461 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 16:04:22.073 CEST 2019: Structure is used: true
Wed May 08 16:04:22.089 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_B02/1/B02.mol
Wed May 08 16:04:22.110 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.63 s.
Wed May 08 16:04:22.126 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:04:22.141 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:04:22.141 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:04:22.157 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:04:22.157 CEST 2019: Spectrum is suppressed.
Wed May 08 16:04:22.173 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:04:22.188 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:04:22.188 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:04:22.204 CEST 2019: Expected impurity: TSP
Wed May 08 16:04:22.219 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:04:22.235 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 16:04:22.235 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 16:04:22.251 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:04:22.251 CEST 2019: RMSD noise: 661.014 (10.704/10.204)
Wed May 08 16:04:22.268 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:04:22.283 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:04:22.299 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:04:22.346 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:04:22.551 CEST 2019: Number of Peaks: (41, 14)
Wed May 08 16:04:22.582 CEST 2019: Elapsed time for evaluation (PP Suite): 0.23 s.
Wed May 08 16:04:22.582 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:04:22.597 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:04:22.613 CEST 2019: Signal-to-Noise ratio: 3422.26 (3.723 ppm)
Wed May 08 16:04:22.613 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:04:22.629 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:04:22.629 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.52 s.
Wed May 08 16:04:22.685 CEST 2019: Number of Multiplets: 98
Wed May 08 16:04:22.685 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 16:04:22.779 CEST 2019: Number of Peak Cluster: 16
Wed May 08 16:04:22.794 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 16:04:22.952 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.15 s.
Wed May 08 16:04:23.327 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Wed May 08 16:04:23.342 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:04:23.358 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:04:23.389 CEST 2019: Number of consistent PNS: 3
Wed May 08 16:04:23.389 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:04:23.405 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Wed May 08 16:04:23.639 CEST 2019: Number of ASL: 72
Wed May 08 16:04:23.655 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.24 s.
Wed May 08 16:04:24.095 CEST 2019: Elapsed time for evaluation (IN Suite): 0.43 s.
Wed May 08 16:04:24.126 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:04:24.861 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Wed May 08 16:04:24.876 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:04:24.892 CEST 2019: CMC-q finished in 3.71 s.
