Mon Jul 04 16:52:52.931 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:52:52.934 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B9_OS_Plate06_B9\1\pdata\1
Mon Jul 04 16:52:52.941 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:52:52.945 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:52:52.948 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:52:53.011 CEST 2022: No HSQC data available
Mon Jul 04 16:52:53.040 CEST 2022: No C13 data available
Mon Jul 04 16:52:53.051 CEST 2022: No HMBC data available
Mon Jul 04 16:52:53.058 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:52:53.079 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:52:53.157 CEST 2022: Structure is used: true
Mon Jul 04 16:52:53.160 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B9_OS_Plate06_B9/1/B9_OS_Plate06_B9-773b1b86-004c-4abc-a4bc-9d83e35518c0.mol
Mon Jul 04 16:52:53.163 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.08 s.
Mon Jul 04 16:52:53.173 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:52:53.176 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:52:53.179 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:52:53.181 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:52:53.184 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:52:53.186 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:52:53.188 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:52:53.193 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:52:53.196 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.01 s.
Mon Jul 04 16:52:53.199 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:52:53.201 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:52:53.204 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 16:52:53.206 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:52:53.209 CEST 2022: RMSD noise: 29920161.505 (11.034/10.534)
Mon Jul 04 16:52:53.211 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:52:53.214 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:52:53.217 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:52:53.242 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:52:53.346 CEST 2022: Number of Peaks: (88, 9)
Mon Jul 04 16:52:53.349 CEST 2022: Elapsed time for evaluation (PP Suite): 0.10 s.
Mon Jul 04 16:52:53.351 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:52:53.369 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:52:53.385 CEST 2022: Signal-to-Noise ratio: 9103.07 (8.967 ppm)
Mon Jul 04 16:52:53.388 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:52:53.390 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:52:53.392 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:52:53.414 CEST 2022: Number of Multiplets: 131
Mon Jul 04 16:52:53.417 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:52:53.482 CEST 2022: Number of Peak Cluster: 41
Mon Jul 04 16:52:53.488 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.07 s.
Mon Jul 04 16:52:53.511 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.02 s.
Mon Jul 04 16:52:53.657 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.14 s.
Mon Jul 04 16:52:53.666 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:52:53.672 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:52:53.675 CEST 2022: Number of consistent PNS: 3
Mon Jul 04 16:52:53.678 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:52:53.681 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:52:53.686 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.00 s.
Mon Jul 04 16:52:53.693 CEST 2022: Elapsed time for evaluation (IN Suite): 0.00 s.
Mon Jul 04 16:52:53.742 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:52:54.089 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:52:54.092 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:52:54.095 CEST 2022: CMC-q finished in 1.16 s.
