Mon Jul 04 16:28:07.986 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:28:07.988 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F9_OS_Plate012_F9\1\pdata\1
Mon Jul 04 16:28:07.995 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:28:07.998 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:28:08.001 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:28:08.031 CEST 2022: No HSQC data available
Mon Jul 04 16:28:08.045 CEST 2022: No C13 data available
Mon Jul 04 16:28:08.057 CEST 2022: No HMBC data available
Mon Jul 04 16:28:08.065 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:28:08.082 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:28:08.240 CEST 2022: Structure is used: true
Mon Jul 04 16:28:08.259 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F9_OS_Plate012_F9/1/F9_OS_Plate12_F9-5218a753-f1fc-4d6c-9f55-9734b859bf8c.mol
Mon Jul 04 16:28:08.261 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.18 s.
Mon Jul 04 16:28:08.267 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:28:08.270 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:28:08.273 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:28:08.275 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:28:08.278 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:28:08.280 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:28:08.282 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:28:08.287 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:28:08.289 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:28:08.292 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:28:08.294 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:28:08.297 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 16:28:08.299 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:28:08.302 CEST 2022: RMSD noise: 29560847.112 (12.669/12.169)
Mon Jul 04 16:28:08.304 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:28:08.307 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:28:08.310 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:28:08.334 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:28:08.416 CEST 2022: Number of Peaks: (59, 22)
Mon Jul 04 16:28:08.420 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:28:08.422 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:28:08.430 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:28:08.432 CEST 2022: Signal-to-Noise ratio: 1940.57 (1.022 ppm)
Mon Jul 04 16:28:08.435 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:28:08.438 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:28:08.440 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.18 s.
Mon Jul 04 16:28:08.452 CEST 2022: Number of Multiplets: 65
Mon Jul 04 16:28:08.454 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:28:08.492 CEST 2022: Number of Peak Cluster: 20
Mon Jul 04 16:28:08.498 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:28:08.504 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:28:08.642 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:28:08.656 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:28:08.660 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:28:08.670 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:28:08.673 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 16:28:08.677 CEST 2022: Number of consistent PNS: 30
Mon Jul 04 16:28:08.679 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:28:08.683 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:28:08.685 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:28:08.945 CEST 2022: Elapsed time for evaluation (BU Suite): 0.27 s.
Mon Jul 04 16:28:08.993 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:28:08.995 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:28:09.321 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.37 s.
Mon Jul 04 16:28:09.325 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:28:09.327 CEST 2022: CMC-q finished in 1.34 s.
