Mon Jul 04 16:29:50.564 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:29:50.567 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E2_OS_Plate02_E2\1\pdata\1
Mon Jul 04 16:29:50.574 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:29:50.577 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:29:50.580 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:29:50.610 CEST 2022: No HSQC data available
Mon Jul 04 16:29:50.622 CEST 2022: No C13 data available
Mon Jul 04 16:29:50.634 CEST 2022: No HMBC data available
Mon Jul 04 16:29:50.641 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:29:50.665 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:29:50.815 CEST 2022: Structure is used: true
Mon Jul 04 16:29:50.837 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E2_OS_Plate02_E2/1/E2_OS_Plate02_E2-b64c7648-43c4-4584-8043-d10d84c1c23c.mol
Mon Jul 04 16:29:50.839 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.17 s.
Mon Jul 04 16:29:50.876 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:29:50.879 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.04 s.
Mon Jul 04 16:29:50.882 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:29:50.884 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:29:50.886 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:29:50.889 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:29:50.891 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:29:50.895 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:29:50.898 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:29:50.901 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:29:50.903 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:29:50.905 CEST 2022: Expected impurity: CustomImpurity [isActive=true, identifier=DMSO, protonShiftLimitAPpm=2.6, protonShiftLimitBPpm=2.54, protonMultiplicity=other, protonCouplingHz=[], protonNumber=0, carbonShiftLimitAPpm=-100.0, carbonShiftLimitBPpm=-100.0, carbonNumber=0]
Mon Jul 04 16:29:50.908 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:29:50.910 CEST 2022: RMSD noise: 31799735.479 (-1.222/-1.722)
Mon Jul 04 16:29:50.912 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:29:50.915 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:29:50.919 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:29:50.943 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:29:51.039 CEST 2022: Number of Peaks: (83, 18)
Mon Jul 04 16:29:51.042 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:29:51.044 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:29:51.105 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.06 s.
Mon Jul 04 16:29:51.108 CEST 2022: Signal-to-Noise ratio: 1772.88 (7.507 ppm)
Mon Jul 04 16:29:51.111 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:29:51.114 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:29:51.116 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.27 s.
Mon Jul 04 16:29:51.136 CEST 2022: Number of Multiplets: 119
Mon Jul 04 16:29:51.138 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:29:51.189 CEST 2022: Number of Peak Cluster: 31
Mon Jul 04 16:29:51.194 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:29:51.207 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:29:51.345 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:29:51.363 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:29:51.368 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:29:51.371 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:29:51.374 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:29:51.378 CEST 2022: Number of consistent PNS: 30
Mon Jul 04 16:29:51.381 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:29:51.384 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:29:51.387 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:29:52.023 CEST 2022: Elapsed time for evaluation (BU Suite): 0.65 s.
Mon Jul 04 16:29:52.070 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:29:52.073 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:29:52.408 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.38 s.
Mon Jul 04 16:29:52.411 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:29:52.414 CEST 2022: CMC-q finished in 1.85 s.
