Mon May 06 23:01:44.486 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 06 23:01:44.486 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\iNEXT_G2_Plate7\74\pdata\1
Mon May 06 23:01:44.517 CEST 2019: Solvent of PROTON: H2O
Mon May 06 23:01:44.517 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 06 23:01:44.532 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 06 23:01:44.564 CEST 2019: No HSQC data available
Mon May 06 23:01:44.579 CEST 2019: No C13 data available
Mon May 06 23:01:44.595 CEST 2019: No HMBC data available
Mon May 06 23:01:44.611 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 06 23:01:44.681 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.06 s.
Mon May 06 23:01:44.994 CEST 2019: Structure is used: true
Mon May 06 23:01:44.994 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/iNEXT_G2_Plate7/74/G02.mol
Mon May 06 23:01:45.010 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.32 s.
Mon May 06 23:01:45.026 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 06 23:01:45.041 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 06 23:01:45.057 CEST 2019: Spectrum is not 13C decoupled.
Mon May 06 23:01:45.057 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 06 23:01:45.072 CEST 2019: Spectrum is suppressed.
Mon May 06 23:01:45.072 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 06 23:01:45.088 CEST 2019: Suppression frequencies at: 4.650 
Mon May 06 23:01:45.104 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 06 23:01:45.119 CEST 2019: Expected impurity: TSP
Mon May 06 23:01:45.119 CEST 2019: Expected impurity: DMSO_D5
Mon May 06 23:01:45.135 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 23:01:45.152 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 23:01:45.152 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.05 s.
Mon May 06 23:01:45.167 CEST 2019: RMSD noise: 686.176 (0.403/-0.097)
Mon May 06 23:01:45.183 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 06 23:01:45.185 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 06 23:01:45.201 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:01:45.248 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 06 23:01:45.421 CEST 2019: Number of Peaks: (35, 7)
Mon May 06 23:01:45.452 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Mon May 06 23:01:45.468 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 06 23:01:45.483 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 06 23:01:45.483 CEST 2019: Signal-to-Noise ratio: 3515.16 (1.134 ppm)
Mon May 06 23:01:45.499 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 06 23:01:45.515 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:01:45.516 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Mon May 06 23:01:45.547 CEST 2019: Number of Multiplets: 68
Mon May 06 23:01:45.563 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 06 23:01:45.641 CEST 2019: Number of Peak Cluster: 11
Mon May 06 23:01:45.641 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 06 23:01:45.814 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.17 s.
Mon May 06 23:01:46.189 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Mon May 06 23:01:46.205 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 06 23:01:46.220 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 06 23:01:46.236 CEST 2019: Number of consistent PNS: 3
Mon May 06 23:01:46.236 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 06 23:01:46.267 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 06 23:01:46.298 CEST 2019: Number of ASL: 10
Mon May 06 23:01:46.314 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.05 s.
Mon May 06 23:01:46.517 CEST 2019: Elapsed time for evaluation (IN Suite): 0.19 s.
Mon May 06 23:01:46.548 CEST 2019: CMC-assist project state: AutoConsistent
Mon May 06 23:01:47.285 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.76 s.
Mon May 06 23:01:47.317 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 06 23:01:47.317 CEST 2019: CMC-q finished in 2.83 s.
