Mon May 06 23:25:26.457 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:25:26.472 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate8\63\pdata\1
Mon May 06 23:25:26.488 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:25:26.504 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:25:26.519 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:25:26.535 CEST 2019: No HSQC data available
Mon May 06 23:25:26.566 CEST 2019: No C13 data available
Mon May 06 23:25:26.582 CEST 2019: No HMBC data available
Mon May 06 23:25:26.597 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:25:26.644 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 06 23:25:27.067 CEST 2019: Structure is used: true
Mon May 06 23:25:27.083 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate8/63/F03.mol
Mon May 06 23:25:27.083 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.44 s.
Mon May 06 23:25:27.114 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:25:27.114 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:25:27.130 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:25:27.145 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:25:27.145 CEST 2019: Spectrum is suppressed.
Mon May 06 23:25:27.161 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:25:27.168 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:25:27.184 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:25:27.200 CEST 2019: Expected impurity: TSP
Mon May 06 23:25:27.200 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:25:27.215 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 06 23:25:27.231 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 06 23:25:27.231 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:25:27.247 CEST 2019: RMSD noise: 691.049 (9.492/8.992)
Mon May 06 23:25:27.262 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:25:27.262 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:25:27.278 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:25:27.325 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 06 23:25:27.500 CEST 2019: Number of Peaks: (40, 3)
Mon May 06 23:25:27.546 CEST 2019: Elapsed time for evaluation (PP Suite): 0.21 s.
Mon May 06 23:25:27.562 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:25:27.562 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:25:27.578 CEST 2019: Signal-to-Noise ratio: 3080.05 (2.218 ppm)
Mon May 06 23:25:27.594 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:25:27.594 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:25:27.610 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.51 s.
Mon May 06 23:25:27.641 CEST 2019: Number of Multiplets: 59
Mon May 06 23:25:27.661 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 06 23:25:27.739 CEST 2019: Number of Peak Cluster: 17
Mon May 06 23:25:27.755 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon May 06 23:25:27.817 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.06 s.
Mon May 06 23:25:28.178 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.35 s.
Mon May 06 23:25:28.193 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:25:28.209 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:25:28.225 CEST 2019: Number of consistent PNS: 2
Mon May 06 23:25:28.225 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:25:28.240 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon May 06 23:25:28.271 CEST 2019: Number of ASL: 8
Mon May 06 23:25:28.287 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.03 s.
Mon May 06 23:25:28.521 CEST 2019: Elapsed time for evaluation (IN Suite): 0.23 s.
Mon May 06 23:25:28.553 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:25:28.553 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:25:28.568 CEST 2019: Impurity 13C satellite filter active!
Mon May 06 23:25:29.321 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.79 s.
Mon May 06 23:25:29.352 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:25:29.368 CEST 2019: CMC-q finished in 2.91 s.
