Wed May 08 12:26:48.176 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 12:26:48.176 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P6_82\1\pdata\1
Wed May 08 12:26:48.208 CEST 2019: Solvent of PROTON: H2O
Wed May 08 12:26:48.223 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 12:26:48.223 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 12:26:48.287 CEST 2019: No HSQC data available
Wed May 08 12:26:48.334 CEST 2019: No C13 data available
Wed May 08 12:26:48.396 CEST 2019: No HMBC data available
Wed May 08 12:26:48.396 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 12:26:48.471 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.07 s.
Wed May 08 12:26:49.081 CEST 2019: Structure is used: true
Wed May 08 12:26:49.112 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P6_82/1/G10.mol
Wed May 08 12:26:49.128 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.64 s.
Wed May 08 12:26:49.169 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.03 s.
Wed May 08 12:26:49.185 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 12:26:49.185 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 12:26:49.200 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 12:26:49.200 CEST 2019: Spectrum is suppressed.
Wed May 08 12:26:49.216 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.03 s.
Wed May 08 12:26:49.232 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 12:26:49.232 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 12:26:49.247 CEST 2019: Expected impurity: TSP
Wed May 08 12:26:49.263 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 12:26:49.263 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 12:26:49.280 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 12:26:49.295 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 12:26:49.295 CEST 2019: RMSD noise: 686.966 (10.098/9.598)
Wed May 08 12:26:49.311 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 12:26:49.329 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 12:26:49.332 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:26:49.379 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 12:26:50.021 CEST 2019: Number of Peaks: (178, 51)
Wed May 08 12:26:50.036 CEST 2019: Elapsed time for evaluation (PP Suite): 0.65 s.
Wed May 08 12:26:50.036 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 12:26:50.074 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 12:26:50.074 CEST 2019: Signal-to-Noise ratio: 1113.96 (1.026 ppm)
Wed May 08 12:26:50.089 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 12:26:50.105 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:26:50.105 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.97 s.
Wed May 08 12:26:50.731 CEST 2019: Number of Multiplets: 387
Wed May 08 12:26:50.747 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.63 s.
Wed May 08 12:26:50.998 CEST 2019: Number of Peak Cluster: 19
Wed May 08 12:26:51.013 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.25 s.
Wed May 08 12:26:51.201 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.18 s.
Wed May 08 12:26:52.390 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 1.18 s.
Wed May 08 12:26:52.437 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.04 s.
Wed May 08 12:26:52.452 CEST 2019: Elapsed time for evaluation (PE Suite): 0.01 s.
Wed May 08 12:26:52.546 CEST 2019: Number of consistent PNS: 2
Wed May 08 12:26:52.562 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.10 s.
Wed May 08 12:26:52.593 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.02 s.
Wed May 08 12:27:03.193 CEST 2019: Number of ASL: 201
Wed May 08 12:27:03.209 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 10.60 s.
Wed May 08 12:27:03.600 CEST 2019: Elapsed time for evaluation (IN Suite): 0.39 s.
Wed May 08 12:27:07.507 CEST 2019: Elapsed time for evaluation (BU Suite): 3.89 s.
Wed May 08 12:27:07.550 CEST 2019: CMC-assist project state: AutoInconsistent
Wed May 08 12:27:07.550 CEST 2019: INCONSISTENT: Only invalid AssignmentSolutions.
Wed May 08 12:27:08.317 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.80 s.
Wed May 08 12:27:08.333 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 12:27:08.333 CEST 2019: CMC-q finished in 20.16 s.
