Mon Jul 04 16:28:58.961 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:28:58.964 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\G11_OS_Plate012_G11\1\pdata\1
Mon Jul 04 16:28:58.971 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:28:58.975 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:28:58.977 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:28:59.012 CEST 2022: No HSQC data available
Mon Jul 04 16:28:59.025 CEST 2022: No C13 data available
Mon Jul 04 16:28:59.037 CEST 2022: No HMBC data available
Mon Jul 04 16:28:59.048 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:28:59.066 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.01 s.
Mon Jul 04 16:28:59.183 CEST 2022: Structure is used: true
Mon Jul 04 16:28:59.201 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/G11_OS_Plate012_G11/1/G11_OS_Plate12_G11-e9bccd81-accf-4562-824b-c88150e5f860.mol
Mon Jul 04 16:28:59.203 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.14 s.
Mon Jul 04 16:28:59.209 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:28:59.212 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:28:59.215 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:28:59.217 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:28:59.219 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:28:59.222 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:28:59.224 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:28:59.228 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:28:59.231 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:28:59.234 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:28:59.236 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:28:59.238 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 16:28:59.240 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:28:59.243 CEST 2022: RMSD noise: 31339340.382 (9.400/8.900)
Mon Jul 04 16:28:59.245 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:28:59.249 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:28:59.252 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:28:59.276 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:28:59.370 CEST 2022: Number of Peaks: (85, 12)
Mon Jul 04 16:28:59.373 CEST 2022: Elapsed time for evaluation (PP Suite): 0.09 s.
Mon Jul 04 16:28:59.375 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:28:59.412 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.03 s.
Mon Jul 04 16:28:59.414 CEST 2022: Signal-to-Noise ratio: 5628.55 (0.934 ppm)
Mon Jul 04 16:28:59.417 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:28:59.420 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:28:59.422 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.22 s.
Mon Jul 04 16:28:59.444 CEST 2022: Number of Multiplets: 138
Mon Jul 04 16:28:59.447 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:28:59.497 CEST 2022: Number of Peak Cluster: 28
Mon Jul 04 16:28:59.503 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:28:59.514 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:28:59.668 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:28:59.676 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:28:59.681 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:28:59.684 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:28:59.687 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:28:59.692 CEST 2022: Number of consistent PNS: 35
Mon Jul 04 16:28:59.694 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:28:59.697 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:28:59.700 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:29:00.406 CEST 2022: Elapsed time for evaluation (BU Suite): 0.72 s.
Mon Jul 04 16:29:00.471 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:29:00.474 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:29:00.815 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:29:00.818 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:29:00.820 CEST 2022: CMC-q finished in 1.86 s.
