Mon Jul 04 16:50:03.186 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:50:03.189 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\C1_OS_Plate06_C1\1\pdata\1
Mon Jul 04 16:50:03.196 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:50:03.199 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:50:03.202 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:50:03.473 CEST 2022: No HSQC data available
Mon Jul 04 16:50:03.483 CEST 2022: No C13 data available
Mon Jul 04 16:50:03.493 CEST 2022: No HMBC data available
Mon Jul 04 16:50:03.500 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:50:03.787 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.28 s.
Mon Jul 04 16:50:03.901 CEST 2022: Structure is used: true
Mon Jul 04 16:50:03.904 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/C1_OS_Plate06_C1/1/C1_OS_Plate06_C1-e8d9a9f9-a41a-4161-83b6-5ad16610e92d.mol
Mon Jul 04 16:50:03.907 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.10 s.
Mon Jul 04 16:50:03.979 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:50:03.981 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.07 s.
Mon Jul 04 16:50:03.984 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:50:03.987 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:50:03.989 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:50:03.991 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:50:03.994 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:50:03.998 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:50:04.001 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:50:04.004 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:50:04.006 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:50:04.008 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 16:50:04.010 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:50:04.013 CEST 2022: RMSD noise: 29321785.558 (-2.860/-3.359)
Mon Jul 04 16:50:04.015 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:50:04.018 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:50:04.022 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:50:04.046 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:50:04.155 CEST 2022: Number of Peaks: (95, 18)
Mon Jul 04 16:50:04.158 CEST 2022: Elapsed time for evaluation (PP Suite): 0.11 s.
Mon Jul 04 16:50:04.161 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:50:04.183 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.02 s.
Mon Jul 04 16:50:04.186 CEST 2022: Signal-to-Noise ratio: 4014.97 (1.076 ppm)
Mon Jul 04 16:50:04.189 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:50:04.191 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:04.193 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.28 s.
Mon Jul 04 16:50:04.220 CEST 2022: Number of Multiplets: 141
Mon Jul 04 16:50:04.223 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.03 s.
Mon Jul 04 16:50:04.272 CEST 2022: Number of Peak Cluster: 27
Mon Jul 04 16:50:04.278 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:50:04.284 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.00 s.
Mon Jul 04 16:50:04.482 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.19 s.
Mon Jul 04 16:50:04.504 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:50:04.509 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:50:04.513 CEST 2022: Number of consistent PNS: 2
Mon Jul 04 16:50:04.516 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:50:04.518 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:50:04.643 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.12 s.
Mon Jul 04 16:50:04.763 CEST 2022: Elapsed time for evaluation (IN Suite): 0.12 s.
Mon Jul 04 16:50:04.813 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:50:05.170 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:50:05.179 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:50:05.182 CEST 2022: CMC-q finished in 2.00 s.
