Wed May 08 16:12:37.059 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:12:37.074 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_D04\1\pdata\1
Wed May 08 16:12:37.090 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:12:37.106 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:12:37.121 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:12:37.154 CEST 2019: No HSQC data available
Wed May 08 16:12:37.185 CEST 2019: No C13 data available
Wed May 08 16:12:37.216 CEST 2019: No HMBC data available
Wed May 08 16:12:37.232 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:12:37.295 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:12:38.089 CEST 2019: Structure is used: true
Wed May 08 16:12:38.105 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_D04/1/D04.mol
Wed May 08 16:12:38.120 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.82 s.
Wed May 08 16:12:38.151 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:12:38.151 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:12:38.167 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:12:38.183 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:12:38.183 CEST 2019: Spectrum is suppressed.
Wed May 08 16:12:38.198 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:12:38.198 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:12:38.214 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:12:38.229 CEST 2019: Expected impurity: TSP
Wed May 08 16:12:38.229 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:12:38.245 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 16:12:38.261 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 16:12:38.261 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:12:38.281 CEST 2019: RMSD noise: 696.770 (6.462/5.963)
Wed May 08 16:12:38.281 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:12:38.296 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:12:38.312 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:12:38.359 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:12:38.594 CEST 2019: Number of Peaks: (60, 20)
Wed May 08 16:12:38.610 CEST 2019: Elapsed time for evaluation (PP Suite): 0.25 s.
Wed May 08 16:12:38.626 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:12:38.641 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:12:38.641 CEST 2019: Signal-to-Noise ratio: 628.60 (7.330 ppm)
Wed May 08 16:12:38.657 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:12:38.673 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:12:38.673 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.55 s.
Wed May 08 16:12:38.751 CEST 2019: Number of Multiplets: 148
Wed May 08 16:12:38.751 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.07 s.
Wed May 08 16:12:38.860 CEST 2019: Number of Peak Cluster: 20
Wed May 08 16:12:38.876 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.11 s.
Wed May 08 16:12:38.971 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Wed May 08 16:12:39.394 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.41 s.
Wed May 08 16:12:39.425 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 16:12:39.441 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:12:39.459 CEST 2019: Number of consistent PNS: 3
Wed May 08 16:12:39.475 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:12:39.475 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:12:45.364 CEST 2019: Number of ASL: 392
Wed May 08 16:12:45.380 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 5.89 s.
Wed May 08 16:12:46.352 CEST 2019: Elapsed time for evaluation (IN Suite): 0.96 s.
Wed May 08 16:12:46.383 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:12:46.383 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:12:47.150 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.79 s.
Wed May 08 16:12:47.150 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:12:47.166 CEST 2019: CMC-q finished in 10.11 s.
