Wed May 08 09:31:09.153 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:31:09.169 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_73\1\pdata\1
Wed May 08 09:31:09.185 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:31:09.200 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:31:09.200 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:31:09.216 CEST 2019: No HSQC data available
Wed May 08 09:31:09.232 CEST 2019: No C13 data available
Wed May 08 09:31:09.263 CEST 2019: No HMBC data available
Wed May 08 09:31:09.263 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:31:09.311 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:31:09.791 CEST 2019: Structure is used: true
Wed May 08 09:31:09.806 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_73/1/7.mol
Wed May 08 09:31:09.822 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.50 s.
Wed May 08 09:31:09.837 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:31:09.837 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:31:09.853 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:31:09.853 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:31:09.869 CEST 2019: Spectrum is suppressed.
Wed May 08 09:31:09.869 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:31:09.884 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:31:09.884 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:31:09.900 CEST 2019: Expected impurity: TSP
Wed May 08 09:31:09.900 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:31:09.916 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 09:31:09.916 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 09:31:09.931 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:31:09.931 CEST 2019: RMSD noise: 645.984 (-0.812/-1.312)
Wed May 08 09:31:09.947 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:31:09.947 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:31:09.962 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:31:09.994 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:31:10.306 CEST 2019: Number of Peaks: (44, 10)
Wed May 08 09:31:10.337 CEST 2019: Elapsed time for evaluation (PP Suite): 0.33 s.
Wed May 08 09:31:10.337 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:31:10.353 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:31:10.353 CEST 2019: Signal-to-Noise ratio: 267.42 (1.317 ppm)
Wed May 08 09:31:10.369 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:31:10.369 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:31:10.384 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.56 s.
Wed May 08 09:31:10.415 CEST 2019: Number of Multiplets: 97
Wed May 08 09:31:10.431 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Wed May 08 09:31:10.494 CEST 2019: Number of Peak Cluster: 15
Wed May 08 09:31:10.494 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 09:31:10.665 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.16 s.
Wed May 08 09:31:10.964 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Wed May 08 09:31:10.979 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 09:31:10.979 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:31:10.996 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:31:10.996 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:31:11.012 CEST 2019: Number of consistent PNS: 45
Wed May 08 09:31:11.027 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:31:11.059 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 09:31:11.059 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:31:11.465 CEST 2019: Elapsed time for evaluation (BU Suite): 0.45 s.
Wed May 08 09:31:11.480 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:31:11.496 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:31:12.092 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.61 s.
Wed May 08 09:31:12.092 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:31:12.108 CEST 2019: CMC-q finished in 2.96 s.