Mon Jul 04 16:52:19.853 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:52:19.856 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\B7_OS_Plate06_B7\1\pdata\1
Mon Jul 04 16:52:19.863 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:52:19.867 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:52:19.870 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:52:19.932 CEST 2022: No HSQC data available
Mon Jul 04 16:52:19.944 CEST 2022: No C13 data available
Mon Jul 04 16:52:19.955 CEST 2022: No HMBC data available
Mon Jul 04 16:52:19.962 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:52:19.983 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:52:20.073 CEST 2022: Structure is used: true
Mon Jul 04 16:52:20.076 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/B7_OS_Plate06_B7/1/B7_OS_Plate06_B7-c46cdd0a-1877-454b-84ae-b3e3e5e263a3.mol
Mon Jul 04 16:52:20.079 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.09 s.
Mon Jul 04 16:52:20.090 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:52:20.093 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:52:20.096 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:52:20.098 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:52:20.101 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:52:20.103 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:52:20.105 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:52:20.110 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:52:20.112 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:52:20.115 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:52:20.118 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:52:20.120 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 16:52:20.122 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:52:20.124 CEST 2022: RMSD noise: 29617200.215 (11.851/11.352)
Mon Jul 04 16:52:20.127 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:52:20.129 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:52:20.133 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:52:20.157 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:52:20.298 CEST 2022: Number of Peaks: (141, 13)
Mon Jul 04 16:52:20.319 CEST 2022: Elapsed time for evaluation (PP Suite): 0.16 s.
Mon Jul 04 16:52:20.321 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:52:20.336 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.01 s.
Mon Jul 04 16:52:20.338 CEST 2022: Signal-to-Noise ratio: 29661.26 (1.284 ppm)
Mon Jul 04 16:52:20.341 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:52:20.344 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:52:20.346 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.26 s.
Mon Jul 04 16:52:20.387 CEST 2022: Number of Multiplets: 198
Mon Jul 04 16:52:20.390 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.04 s.
Mon Jul 04 16:52:20.474 CEST 2022: Number of Peak Cluster: 44
Mon Jul 04 16:52:20.480 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.09 s.
Mon Jul 04 16:52:20.493 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:52:20.688 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.19 s.
Mon Jul 04 16:52:20.699 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:52:20.705 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:52:20.709 CEST 2022: Number of consistent PNS: 4
Mon Jul 04 16:52:20.712 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:52:20.715 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:52:20.726 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.01 s.
Mon Jul 04 16:52:20.841 CEST 2022: Elapsed time for evaluation (IN Suite): 0.11 s.
Mon Jul 04 16:52:20.891 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:52:21.216 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.37 s.
Mon Jul 04 16:52:21.220 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:52:21.222 CEST 2022: CMC-q finished in 1.37 s.
