Wed May 08 09:19:11.447 CEST 2019: Starting CMC-q package (b:143) with command cmcq assistant analysis
Wed May 08 09:19:11.447 CEST 2019: Analysing data set: C:\data\iNEXT-G2\nmr\P1_27\1\pdata\1
Wed May 08 09:19:11.478 CEST 2019: Solvent of PROTON: H2O
Wed May 08 09:19:11.478 CEST 2019: TD: 32768 SI: 65536 SW: 12.016
Wed May 08 09:19:11.494 CEST 2019: PT/PPM: 5454.0825 PT/Hz: 9.0876
Wed May 08 09:19:11.510 CEST 2019: No HSQC data available
Wed May 08 09:19:11.525 CEST 2019: No C13 data available
Wed May 08 09:19:11.541 CEST 2019: No HMBC data available
Wed May 08 09:19:11.556 CEST 2019: Elapsed time for evaluation (XD Suite): 0.00 s.
Wed May 08 09:19:11.603 CEST 2019: Elapsed time for evaluation (SPD Suite): 0.03 s.
Wed May 08 09:19:11.995 CEST 2019: Structure is used: true
Wed May 08 09:19:12.011 CEST 2019: MOL-File C:/data/iNEXT-G2/nmr/P1_27/1/19.mol
Wed May 08 09:19:12.011 CEST 2019: Elapsed time for evaluation (STD Suite - BCH): 0.41 s.
Wed May 08 09:19:12.027 CEST 2019: Elapsed time for evaluation (ICH Suite): 0.01 s.
Wed May 08 09:19:12.042 CEST 2019: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Wed May 08 09:19:12.042 CEST 2019: Spectrum is not 13C decoupled.
Wed May 08 09:19:12.058 CEST 2019: Spectrum does not contain ERETIC signal.
Wed May 08 09:19:12.058 CEST 2019: Spectrum is suppressed.
Wed May 08 09:19:12.073 CEST 2019: Elapsed time for evaluation (SPT Suite): 0.02 s.
Wed May 08 09:19:12.073 CEST 2019: Suppression frequencies at: 4.650 
Wed May 08 09:19:12.089 CEST 2019: Elapsed time for evaluation (SFF Suite): 0.01 s.
Wed May 08 09:19:12.105 CEST 2019: Expected impurity: TSP
Wed May 08 09:19:12.105 CEST 2019: Expected impurity: DMSO_D5
Wed May 08 09:19:12.120 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 09:19:12.120 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 09:19:12.136 CEST 2019: Elapsed time for evaluation (IMR Suite): 0.04 s.
Wed May 08 09:19:12.136 CEST 2019: RMSD noise: 677.037 (7.068/6.569)
Wed May 08 09:19:12.151 CEST 2019: Elapsed time for evaluation (ND Suite): 0.01 s.
Wed May 08 09:19:12.151 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Wed May 08 09:19:12.167 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:19:12.198 CEST 2019: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.03 s.
Wed May 08 09:19:12.355 CEST 2019: Number of Peaks: (49, 23)
Wed May 08 09:19:12.370 CEST 2019: Elapsed time for evaluation (PP Suite): 0.17 s.
Wed May 08 09:19:12.386 CEST 2019: Elapsed time for evaluation (EPF Suite): 0.00 s.
Wed May 08 09:19:12.386 CEST 2019: Elapsed time for evaluation (SAR Suite): 0.00 s.
Wed May 08 09:19:12.401 CEST 2019: Signal-to-Noise ratio: 3835.53 (1.119 ppm)
Wed May 08 09:19:12.401 CEST 2019: Elapsed time for evaluation (SND Suite): 0.01 s.
Wed May 08 09:19:12.417 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:19:12.417 CEST 2019: Elapsed time for evaluation (PRE Suite): 0.40 s.
Wed May 08 09:19:12.448 CEST 2019: Number of Multiplets: 84
Wed May 08 09:19:12.464 CEST 2019: Elapsed time for evaluation (MMG Suite): 0.03 s.
Wed May 08 09:19:12.526 CEST 2019: Number of Peak Cluster: 15
Wed May 08 09:19:12.526 CEST 2019: Elapsed time for evaluation (PCG Suite): 0.07 s.
Wed May 08 09:19:12.604 CEST 2019: Elapsed time for evaluation (IMSO Suite): 0.07 s.
Wed May 08 09:19:12.901 CEST 2019: Elapsed time for evaluation (SMOOTH Suite): 0.29 s.
Wed May 08 09:19:12.917 CEST 2019: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Wed May 08 09:19:12.933 CEST 2019: Elapsed time for evaluation (PE Suite): 0.00 s.
Wed May 08 09:19:12.948 CEST 2019: Number of consistent PNS: 4
Wed May 08 09:19:12.948 CEST 2019: Elapsed time for evaluation (PNS Suite): 0.01 s.
Wed May 08 09:19:12.964 CEST 2019: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Wed May 08 09:19:15.313 CEST 2019: Number of ASL: 42
Wed May 08 09:19:15.328 CEST 2019: Elapsed time for evaluation (ASSIGN Suite): 2.36 s.
Wed May 08 09:19:16.000 CEST 2019: Elapsed time for evaluation (IN Suite): 0.66 s.
Wed May 08 09:19:16.016 CEST 2019: CMC-assist project state: AutoConsistent
Wed May 08 09:19:16.031 CEST 2019: Impurity 13C satellite filter active!
Wed May 08 09:19:16.611 CEST 2019: Elapsed time for evaluation (FIN Suite): 0.61 s.
Wed May 08 09:19:16.627 CEST 2019: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Wed May 08 09:19:16.643 CEST 2019: CMC-q finished in 5.20 s.
