Wed May 08 16:11:31.250 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:11:31.265 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_D01\1\pdata\1
Wed May 08 16:11:31.281 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:11:31.296 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:11:31.312 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:11:31.375 CEST 2019: No HSQC data available
Wed May 08 16:11:31.423 CEST 2019: No C13 data available
Wed May 08 16:11:31.470 CEST 2019: No HMBC data available
Wed May 08 16:11:31.485 CEST 2019: Elapsed time for evaluation (XD Suite): 0.01 s.
Wed May 08 16:11:31.554 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.05 s.
Wed May 08 16:11:32.405 CEST 2019: Structure is used: true
Wed May 08 16:11:32.421 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_D01/1/D01.mol
Wed May 08 16:11:32.437 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.88 s.
Wed May 08 16:11:32.468 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:11:32.468 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:11:32.483 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:11:32.499 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:11:32.499 CEST 2019: Spectrum is suppressed.
Wed May 08 16:11:32.515 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 16:11:32.515 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:11:32.530 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:11:32.546 CEST 2019: Expected impurity: TSP
Wed May 08 16:11:32.561 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:11:32.561 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 16:11:32.577 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 16:11:32.577 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:11:32.593 CEST 2019: RMSD noise: 686.514 (6.462/5.963)
Wed May 08 16:11:32.608 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:11:32.608 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:11:32.624 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:11:32.671 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Wed May 08 16:11:32.874 CEST 2019: Number of Peaks: (49, 6)
Wed May 08 16:11:32.890 CEST 2019: Elapsed time for evaluation (PP Suite): 0.20 s.
Wed May 08 16:11:32.905 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:11:32.905 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:11:32.921 CEST 2019: Signal-to-Noise ratio: 49.88 (7.307 ppm)
Wed May 08 16:11:32.921 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:11:32.936 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:11:32.952 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.50 s.
Wed May 08 16:11:33.015 CEST 2019: Number of Multiplets: 111
Wed May 08 16:11:33.030 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.08 s.
Wed May 08 16:11:33.108 CEST 2019: Number of Peak Cluster: 11
Wed May 08 16:11:33.124 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.08 s.
Wed May 08 16:11:33.311 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.19 s.
Wed May 08 16:11:33.686 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.36 s.
Wed May 08 16:11:33.718 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.02 s.
Wed May 08 16:11:33.735 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:11:33.750 CEST 2019: Number of consistent PNS: 2
Wed May 08 16:11:33.766 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 16:11:33.789 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 16:11:34.039 CEST 2019: Number of ASL: 42
Wed May 08 16:11:34.054 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.26 s.
Wed May 08 16:11:34.117 CEST 2019: Elapsed time for evaluation (IN Suite): 0.05 s.
Wed May 08 16:11:34.867 CEST 2019: Elapsed time for evaluation (BU Suite): 0.74 s.
Wed May 08 16:11:34.884 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 16:11:34.899 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Wed May 08 16:11:35.666 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.79 s.
Wed May 08 16:11:35.682 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:11:35.682 CEST 2019: CMC-q finished in 4.43 s.
