Mon May 13 13:27:34.423 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Mon May 13 13:27:34.440 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P2_A12\1\pdata\1
Mon May 13 13:27:34.453 CEST 2019: Solvent of PROTON: H2O
Mon May 13 13:27:34.463 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Mon May 13 13:27:34.473 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Mon May 13 13:27:34.493 CEST 2019: No HSQC data available
Mon May 13 13:27:34.513 CEST 2019: No C13 data available
Mon May 13 13:27:34.533 CEST 2019: No HMBC data available
Mon May 13 13:27:34.540 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon May 13 13:27:34.583 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Mon May 13 13:27:35.043 CEST 2019: Structure is used: true
Mon May 13 13:27:35.063 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P2_A12/1/0110705247.mol
Mon May 13 13:27:35.073 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.49 s.
Mon May 13 13:27:35.083 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon May 13 13:27:35.093 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon May 13 13:27:35.103 CEST 2019: Spectrum is not 13C decoupled.
Mon May 13 13:27:35.113 CEST 2019: Spectrum does not contain ERETIC signal.
Mon May 13 13:27:35.123 CEST 2019: Spectrum is suppressed.
Mon May 13 13:27:35.133 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Mon May 13 13:27:35.143 CEST 2019: Suppression frequencies at: 4.650 
Mon May 13 13:27:35.143 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon May 13 13:27:35.163 CEST 2019: Expected impurity: TSP
Mon May 13 13:27:35.173 CEST 2019: Expected impurity: DMSO_D5
Mon May 13 13:27:35.173 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 13:27:35.183 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 13:27:35.193 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Mon May 13 13:27:35.203 CEST 2019: RMSD noise: 662.246 (-0.812/-1.312)
Mon May 13 13:27:35.213 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Mon May 13 13:27:35.223 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon May 13 13:27:35.233 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:27:35.273 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Mon May 13 13:27:35.453 CEST 2019: Number of Peaks: (47, 7)
Mon May 13 13:27:35.463 CEST 2019: Elapsed time for evaluation (PP Suite): 0.19 s.
Mon May 13 13:27:35.475 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon May 13 13:27:35.483 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon May 13 13:27:35.493 CEST 2019: Signal-to-Noise ratio: 273.21 (3.270 ppm)
Mon May 13 13:27:35.503 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Mon May 13 13:27:35.513 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:27:35.513 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.44 s.
Mon May 13 13:27:35.553 CEST 2019: Number of Multiplets: 102
Mon May 13 13:27:35.563 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon May 13 13:27:35.643 CEST 2019: Number of Peak Cluster: 16
Mon May 13 13:27:35.653 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon May 13 13:27:35.803 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.15 s.
Mon May 13 13:27:36.103 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Mon May 13 13:27:36.123 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon May 13 13:27:36.133 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon May 13 13:27:36.143 CEST 2019: Number of consistent PNS: 0
Mon May 13 13:27:36.153 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:27:36.163 CEST 2019: Number of consistent PNS: 25
Mon May 13 13:27:36.176 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon May 13 13:27:36.193 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon May 13 13:27:36.203 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:27:36.693 CEST 2019: Elapsed time for evaluation (BU Suite): 0.53 s.
Mon May 13 13:27:36.713 CEST 2019: CMC-assist project state: AutoInconsistent
Mon May 13 13:27:36.723 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon May 13 13:27:37.343 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.65 s.
Mon May 13 13:27:37.353 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon May 13 13:27:37.363 CEST 2019: CMC-q finished in 2.94 s.
