Mon Jul 04 16:45:25.008 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:45:25.011 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B1_OS_Plate05_B1\1\pdata\1
Mon Jul 04 16:45:25.019 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:45:25.023 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:45:25.026 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:45:25.086 CEST 2022: No HSQC data available
Mon Jul 04 16:45:25.101 CEST 2022: No C13 data available
Mon Jul 04 16:45:25.114 CEST 2022: No HMBC data available
Mon Jul 04 16:45:25.121 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:45:25.141 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:45:25.250 CEST 2022: Structure is used: true
Mon Jul 04 16:45:25.253 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B1_OS_Plate05_B1/1/1_OS_Plate05_B1.mol
Mon Jul 04 16:45:25.256 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.11 s.
Mon Jul 04 16:45:25.267 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:45:25.269 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:45:25.272 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:45:25.275 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:45:25.277 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:45:25.280 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:45:25.282 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:45:25.286 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:45:25.289 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:45:25.292 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:45:25.294 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:45:25.296 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 16:45:25.299 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:45:25.301 CEST 2022: RMSD noise: 27246954.246 (-2.860/-3.360)
Mon Jul 04 16:45:25.303 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:45:25.306 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:45:25.310 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:45:25.334 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:45:25.398 CEST 2022: Number of Peaks: (47, 12)
Mon Jul 04 16:45:25.402 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:45:25.404 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:45:25.450 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:45:25.453 CEST 2022: Signal-to-Noise ratio: 1157.55 (7.573 ppm)
Mon Jul 04 16:45:25.456 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:45:25.458 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:45:25.461 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.20 s.
Mon Jul 04 16:45:25.470 CEST 2022: Number of Multiplets: 60
Mon Jul 04 16:45:25.473 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:45:25.633 CEST 2022: Number of Peak Cluster: 21
Mon Jul 04 16:45:25.663 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.19 s.
Mon Jul 04 16:45:25.667 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:45:25.791 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:45:25.796 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:45:25.800 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:45:25.803 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:45:25.806 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:45:25.809 CEST 2022: Number of consistent PNS: 15
Mon Jul 04 16:45:25.811 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:45:25.814 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:45:25.816 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:45:26.156 CEST 2022: Elapsed time for evaluation (BU Suite): 0.35 s.
Mon Jul 04 16:45:26.205 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:45:26.208 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:45:26.550 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:45:26.552 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:45:26.555 CEST 2022: CMC-q finished in 1.55 s.
