Mon Jul 04 16:42:28.727 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:42:28.730 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E6_OS_Plate04_E6\1\pdata\1
Mon Jul 04 16:42:28.737 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:42:28.741 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:42:28.744 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:42:28.934 CEST 2022: No HSQC data available
Mon Jul 04 16:42:28.948 CEST 2022: No C13 data available
Mon Jul 04 16:42:28.962 CEST 2022: No HMBC data available
Mon Jul 04 16:42:28.970 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:42:29.323 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.35 s.
Mon Jul 04 16:42:29.409 CEST 2022: Structure is used: true
Mon Jul 04 16:42:29.429 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E6_OS_Plate04_E6/1/E6_OS_Plate04_E6-356c4fcf-d821-43ff-9e3a-58cef2e3e36a.mol
Mon Jul 04 16:42:29.431 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:42:30.215 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:42:30.217 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.78 s.
Mon Jul 04 16:42:30.220 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:42:30.222 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:42:30.225 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:42:30.227 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:42:30.229 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:42:30.234 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:42:30.236 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:42:30.240 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:42:30.242 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:42:30.245 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 16:42:30.247 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:42:30.250 CEST 2022: RMSD noise: 29862148.897 (6.949/6.449)
Mon Jul 04 16:42:30.252 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:42:30.255 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:42:30.259 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:42:30.284 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:42:30.363 CEST 2022: Number of Peaks: (65, 11)
Mon Jul 04 16:42:30.366 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:42:30.369 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:42:30.400 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 16:42:30.403 CEST 2022: Signal-to-Noise ratio: 863.22 (8.575 ppm)
Mon Jul 04 16:42:30.405 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:42:30.408 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:42:30.410 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.98 s.
Mon Jul 04 16:42:30.423 CEST 2022: Number of Multiplets: 90
Mon Jul 04 16:42:30.426 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:42:30.584 CEST 2022: Number of Peak Cluster: 21
Mon Jul 04 16:42:30.590 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.16 s.
Mon Jul 04 16:42:30.598 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:42:30.775 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.17 s.
Mon Jul 04 16:42:30.782 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:42:30.786 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:42:30.790 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:42:30.792 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:42:30.796 CEST 2022: Number of consistent PNS: 20
Mon Jul 04 16:42:30.799 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:42:30.809 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.01 s.
Mon Jul 04 16:42:30.812 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:42:31.212 CEST 2022: Elapsed time for evaluation (BU Suite): 0.42 s.
Mon Jul 04 16:42:31.262 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:42:31.265 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:42:31.624 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.41 s.
Mon Jul 04 16:42:31.627 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:42:31.629 CEST 2022: CMC-q finished in 2.90 s.
