Wed May 08 16:26:38.439 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 16:26:38.439 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P4_G10\1\pdata\1
Wed May 08 16:26:38.454 CEST 2019: Solvent of PROTON: H2O
Wed May 08 16:26:38.470 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 16:26:38.486 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 16:26:38.517 CEST 2019: No HSQC data available
Wed May 08 16:26:38.548 CEST 2019: No C13 data available
Wed May 08 16:26:38.579 CEST 2019: No HMBC data available
Wed May 08 16:26:38.595 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 16:26:38.644 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.04 s.
Wed May 08 16:26:39.114 CEST 2019: Structure is used: true
Wed May 08 16:26:39.145 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P4_G10/1/G10.mol
Wed May 08 16:26:39.145 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.50 s.
Wed May 08 16:26:39.161 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 16:26:39.176 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 16:26:39.176 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 16:26:39.192 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 16:26:39.192 CEST 2019: Spectrum is suppressed.
Wed May 08 16:26:39.208 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 16:26:39.208 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 16:26:39.223 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 16:26:39.239 CEST 2019: Expected impurity: TSP
Wed May 08 16:26:39.239 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 16:26:39.255 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 16:26:39.255 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 16:26:39.270 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 16:26:39.270 CEST 2019: RMSD noise: 711.659 (6.462/5.963)
Wed May 08 16:26:39.286 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 16:26:39.286 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 16:26:39.301 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:26:39.333 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 16:26:39.458 CEST 2019: Number of Peaks: (29, 9)
Wed May 08 16:26:39.473 CEST 2019: Elapsed time for evaluation (PP Suite): 0.13 s.
Wed May 08 16:26:39.489 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 16:26:39.489 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 16:26:39.505 CEST 2019: Signal-to-Noise ratio: 5194.93 (2.250 ppm)
Wed May 08 16:26:39.506 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 16:26:39.521 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:26:39.521 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.37 s.
Wed May 08 16:26:39.553 CEST 2019: Number of Multiplets: 69
Wed May 08 16:26:39.553 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 16:26:39.615 CEST 2019: Number of Peak Cluster: 12
Wed May 08 16:26:39.615 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.06 s.
Wed May 08 16:26:39.724 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.09 s.
Wed May 08 16:26:39.991 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.26 s.
Wed May 08 16:26:40.007 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Wed May 08 16:26:40.023 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 16:26:40.038 CEST 2019: Number of consistent PNS: 5
Wed May 08 16:26:40.038 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 16:26:40.054 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 16:26:40.149 CEST 2019: Number of ASL: 20
Wed May 08 16:26:40.165 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 0.09 s.
Wed May 08 16:26:40.463 CEST 2019: Elapsed time for evaluation (IN Suite): 0.30 s.
Wed May 08 16:26:40.494 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 16:26:40.494 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:26:40.510 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 16:26:41.072 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.59 s.
Wed May 08 16:26:41.072 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 16:26:41.088 CEST 2019: CMC-q finished in 2.65 s.
