Wed May 08 09:27:03.118 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:27:03.134 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_58\1\pdata\1
Wed May 08 09:27:03.150 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:27:03.165 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:27:03.165 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:27:03.181 CEST 2019: No HSQC data available
Wed May 08 09:27:03.197 CEST 2019: No C13 data available
Wed May 08 09:27:03.228 CEST 2019: No HMBC data available
Wed May 08 09:27:03.243 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:27:03.290 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 09:27:03.587 CEST 2019: Structure is used: true
Wed May 08 09:27:03.603 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_58/1/77.mol
Wed May 08 09:27:03.618 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.31 s.
Wed May 08 09:27:03.618 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:27:03.634 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:27:03.650 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:27:03.650 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:27:03.650 CEST 2019: Spectrum is suppressed.
Wed May 08 09:27:03.665 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:27:03.665 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:27:03.681 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:27:03.696 CEST 2019: Expected impurity: TSP
Wed May 08 09:27:03.712 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:27:03.712 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 09:27:03.728 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 09:27:03.728 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:27:03.743 CEST 2019: RMSD noise: 683.237 (5.856/5.357)
Wed May 08 09:27:03.759 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:27:03.774 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:27:03.774 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:27:03.821 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:27:03.993 CEST 2019: Number of Peaks: (41, 13)
Wed May 08 09:27:04.009 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 09:27:04.024 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:27:04.024 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:27:04.024 CEST 2019: Signal-to-Noise ratio: 2672.37 (2.212 ppm)
Wed May 08 09:27:04.040 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:27:04.056 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:27:04.056 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.44 s.
Wed May 08 09:27:04.087 CEST 2019: Number of Multiplets: 59
Wed May 08 09:27:04.087 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 09:27:04.165 CEST 2019: Number of Peak Cluster: 17
Wed May 08 09:27:04.165 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 09:27:04.228 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.05 s.
Wed May 08 09:27:04.556 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.32 s.
Wed May 08 09:27:04.571 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:27:04.587 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:27:04.587 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:27:04.602 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:27:04.602 CEST 2019: Number of consistent PNS: 15
Wed May 08 09:27:04.618 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:27:04.634 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:27:04.634 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:27:05.463 CEST 2019: Elapsed time for evaluation (BU Suite): 0.85 s.
Wed May 08 09:27:05.479 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:27:05.495 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:27:06.077 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.61 s.
Wed May 08 09:27:06.093 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:27:06.108 CEST 2019: CMC-q finished in 2.99 s.
