Mon Jul 04 16:24:54.235 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:24:54.238 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\E2_OS_Plate012_E2\1\pdata\1
Mon Jul 04 16:24:54.245 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:24:54.249 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:24:54.251 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:24:54.275 CEST 2022: No HSQC data available
Mon Jul 04 16:24:54.286 CEST 2022: No C13 data available
Mon Jul 04 16:24:54.298 CEST 2022: No HMBC data available
Mon Jul 04 16:24:54.305 CEST 2022: Elapsed time for evaluation (XD Suite): 0.00 s.
Mon Jul 04 16:24:54.325 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:24:54.414 CEST 2022: Structure is used: true
Mon Jul 04 16:24:54.417 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/E2_OS_Plate012_E2/1/E2_OS_Plate12_E2-5350134f-8fae-4a68-b662-3feaedab5681.mol
Mon Jul 04 16:24:54.420 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.09 s.
Mon Jul 04 16:24:54.431 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:24:54.434 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:24:54.437 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:24:54.439 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:24:54.442 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:24:54.444 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:24:54.446 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:24:54.451 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:24:54.453 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:24:54.456 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:24:54.458 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:24:54.460 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 16:24:54.463 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:24:54.465 CEST 2022: RMSD noise: 30452279.989 (11.034/10.534)
Mon Jul 04 16:24:54.467 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:24:54.470 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:24:54.474 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:24:54.498 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:24:54.572 CEST 2022: Number of Peaks: (60, 6)
Mon Jul 04 16:24:54.575 CEST 2022: Elapsed time for evaluation (PP Suite): 0.07 s.
Mon Jul 04 16:24:54.577 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:24:54.621 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.04 s.
Mon Jul 04 16:24:54.623 CEST 2022: Signal-to-Noise ratio: 1159.31 (6.650 ppm)
Mon Jul 04 16:24:54.626 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:24:54.628 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:24:54.631 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.21 s.
Mon Jul 04 16:24:54.645 CEST 2022: Number of Multiplets: 96
Mon Jul 04 16:24:54.647 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.01 s.
Mon Jul 04 16:24:54.684 CEST 2022: Number of Peak Cluster: 23
Mon Jul 04 16:24:54.689 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.04 s.
Mon Jul 04 16:24:54.703 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:24:54.823 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.12 s.
Mon Jul 04 16:24:54.830 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.00 s.
Mon Jul 04 16:24:54.834 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:24:54.838 CEST 2022: Number of consistent PNS: 6
Mon Jul 04 16:24:54.840 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:24:54.844 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:24:54.925 CEST 2022: Elapsed time for evaluation (ASSIGN Suite): 0.08 s.
Mon Jul 04 16:24:55.074 CEST 2022: Elapsed time for evaluation (IN Suite): 0.12 s.
Mon Jul 04 16:24:55.123 CEST 2022: CMC-assist project state: AutoConsistent
Mon Jul 04 16:24:55.469 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.39 s.
Mon Jul 04 16:24:55.472 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:24:55.474 CEST 2022: CMC-q finished in 1.24 s.
