Mon Jul 04 16:51:15.874 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:51:15.876 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\F4_OS_Plate06_F4\1\pdata\1
Mon Jul 04 16:51:15.884 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:51:15.888 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:51:15.891 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:51:16.139 CEST 2022: No HSQC data available
Mon Jul 04 16:51:16.151 CEST 2022: No C13 data available
Mon Jul 04 16:51:16.163 CEST 2022: No HMBC data available
Mon Jul 04 16:51:16.172 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:51:16.230 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.05 s.
Mon Jul 04 16:51:16.340 CEST 2022: Structure is used: true
Mon Jul 04 16:51:16.343 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/F4_OS_Plate06_F4/1/F4_OS_Plate06_F4-ceeb396b-ee89-4d5e-b277-3e04639fe034.mol
Mon Jul 04 16:51:16.345 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:51:16.445 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:51:16.447 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.10 s.
Mon Jul 04 16:51:16.450 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:51:16.452 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:51:16.455 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:51:16.457 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:51:16.459 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:51:16.465 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:51:16.467 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:51:16.471 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:51:16.473 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:51:16.475 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 16:51:16.477 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:51:16.480 CEST 2022: RMSD noise: 31636914.152 (11.034/10.534)
Mon Jul 04 16:51:16.482 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:51:16.485 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:51:16.489 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:51:16.512 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:51:16.696 CEST 2022: Number of Peaks: (170, 31)
Mon Jul 04 16:51:16.699 CEST 2022: Elapsed time for evaluation (PP Suite): 0.18 s.
Mon Jul 04 16:51:16.702 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:51:16.741 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:51:16.744 CEST 2022: Signal-to-Noise ratio: 53475.19 (3.231 ppm)
Mon Jul 04 16:51:16.747 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:51:16.749 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:51:16.751 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.40 s.
Mon Jul 04 16:51:16.940 CEST 2022: Number of Multiplets: 387
Mon Jul 04 16:51:16.954 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.20 s.
Mon Jul 04 16:51:17.071 CEST 2022: Number of Peak Cluster: 35
Mon Jul 04 16:51:17.077 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.12 s.
Mon Jul 04 16:51:17.094 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:51:17.430 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.33 s.
Mon Jul 04 16:51:17.460 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.03 s.
Mon Jul 04 16:51:17.465 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:51:17.470 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:51:17.473 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 16:51:17.476 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:51:18.224 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.75 s.
Mon Jul 04 16:51:18.925 CEST 2022: Elapsed time for evaluation (IN Suite): 0.70 s.
Mon Jul 04 16:51:18.977 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:51:19.324 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:51:19.327 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:51:19.330 CEST 2022: CMC-q finished in 3.46 s.
