Wed May 08 09:37:22.376 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:37:22.376 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_95\1\pdata\1
Wed May 08 09:37:22.392 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:37:22.408 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:37:22.423 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:37:22.439 CEST 2019: No HSQC data available
Wed May 08 09:37:22.454 CEST 2019: No C13 data available
Wed May 08 09:37:22.470 CEST 2019: No HMBC data available
Wed May 08 09:37:22.486 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:37:22.517 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:37:23.049 CEST 2019: Structure is used: true
Wed May 08 09:37:23.064 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_95/1/88.mol
Wed May 08 09:37:23.080 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.55 s.
Wed May 08 09:37:23.096 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:37:23.096 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:37:23.111 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:37:23.111 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:37:23.128 CEST 2019: Spectrum is suppressed.
Wed May 08 09:37:23.128 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:37:23.144 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:37:23.144 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:37:23.159 CEST 2019: Expected impurity: TSP
Wed May 08 09:37:23.175 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:37:23.175 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 09:37:23.191 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 09:37:23.191 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:37:23.206 CEST 2019: RMSD noise: 713.114 (5.856/5.357)
Wed May 08 09:37:23.206 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:37:23.222 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:37:23.237 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:37:23.269 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:37:23.441 CEST 2019: Number of Peaks: (56, 7)
Wed May 08 09:37:23.466 CEST 2019: Elapsed time for evaluation (PP Suite): 0.18 s.
Wed May 08 09:37:23.467 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:37:23.467 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:37:23.483 CEST 2019: Signal-to-Noise ratio: 184.11 (3.270 ppm)
Wed May 08 09:37:23.498 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:37:23.498 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:37:23.514 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.42 s.
Wed May 08 09:37:23.545 CEST 2019: Number of Multiplets: 111
Wed May 08 09:37:23.561 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.05 s.
Wed May 08 09:37:23.655 CEST 2019: Number of Peak Cluster: 23
Wed May 08 09:37:23.655 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.09 s.
Wed May 08 09:37:23.797 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.13 s.
Wed May 08 09:37:24.109 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.31 s.
Wed May 08 09:37:24.132 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:37:24.148 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:37:24.164 CEST 2019: Number of consistent PNS: 0
Wed May 08 09:37:24.164 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:37:24.179 CEST 2019: Number of consistent PNS: 50
Wed May 08 09:37:24.195 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.02 s.
Wed May 08 09:37:24.211 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 09:37:24.226 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:37:25.578 CEST 2019: Elapsed time for evaluation (BU Suite): 1.41 s.
Wed May 08 09:37:25.611 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 09:37:25.611 CEST 2019: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Wed May 08 09:37:26.223 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.63 s.
Wed May 08 09:37:26.238 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:37:26.238 CEST 2019: CMC-q finished in 3.86 s.
