Mon May 13 13:37:33.632 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:37:33.642 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_E02\1\pdata\1
Mon May 13 13:37:33.662 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:37:33.671 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:37:33.682 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:37:33.702 CEST 2019: No HSQC data available
Mon May 13 13:37:33.722 CEST 2019: No C13 data available
Mon May 13 13:37:33.742 CEST 2019: No HMBC data available
Mon May 13 13:37:33.752 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:37:33.802 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Mon May 13 13:37:34.112 CEST 2019: Structure is used: true
Mon May 13 13:37:34.141 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_E02/1/0110705806.mol
Mon May 13 13:37:34.141 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.34 s.
Mon May 13 13:37:34.161 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:37:34.171 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:37:34.182 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:37:34.182 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:37:34.191 CEST 2019: Spectrum is suppressed.
Mon May 13 13:37:34.202 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Mon May 13 13:37:34.211 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:37:34.221 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:37:34.231 CEST 2019: Expected impurity: TSP
Mon May 13 13:37:34.241 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:37:34.241 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 13 13:37:34.251 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 13 13:37:34.261 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:37:34.272 CEST 2019: RMSD noise: 723.900 (7.068/6.569)
Mon May 13 13:37:34.281 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:37:34.291 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:37:34.301 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:37:34.341 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.04 s.
Mon May 13 13:37:34.461 CEST 2019: Number of Peaks: (26, 5)
Mon May 13 13:37:34.472 CEST 2019: Elapsed time for evaluation (PP Suite): 0.12 s.
Mon May 13 13:37:34.481 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:37:34.491 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:37:34.501 CEST 2019: Signal-to-Noise ratio: 196.35 (3.270 ppm)
Mon May 13 13:37:34.511 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:37:34.511 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:37:34.521 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.37 s.
Mon May 13 13:37:34.552 CEST 2019: Number of Multiplets: 64
Mon May 13 13:37:34.561 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon May 13 13:37:34.622 CEST 2019: Number of Peak Cluster: 10
Mon May 13 13:37:34.631 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Mon May 13 13:37:34.781 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.14 s.
Mon May 13 13:37:35.071 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.28 s.
Mon May 13 13:37:35.101 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon May 13 13:37:35.112 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:37:35.121 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:37:35.132 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:37:35.141 CEST 2019: Number of consistent PNS: 20
Mon May 13 13:37:35.152 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:37:35.177 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:37:35.182 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:37:35.532 CEST 2019: Elapsed time for evaluation (BU Suite): 0.39 s.
Mon May 13 13:37:35.551 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:37:35.561 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:37:36.192 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.66 s.
Mon May 13 13:37:36.202 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:37:36.211 CEST 2019: CMC-q finished in 2.58 s.
