Mon Jul 04 16:39:57.041 CEST 2022: Starting CMC-q package (b:17) with command cmcq assistant analysis
Mon Jul 04 16:39:57.043 CEST 2022: Analysing data set: E:\TopSpin4.0.8\data\EU_Openscreen\CMCq\CMCq\nmr\Consistent\A1_OS_Plate04_A1\1\pdata\1
Mon Jul 04 16:39:57.051 CEST 2022: Solvent of PROTON is unknown - set to: POLYSOLV
Mon Jul 04 16:39:57.055 CEST 2022: TD: 32768 SI: 65536 SW: 16.028
Mon Jul 04 16:39:57.058 CEST 2022: PT/PPM: 4088.7212 PT/Hz: 6.8157
Mon Jul 04 16:39:57.185 CEST 2022: No HSQC data available
Mon Jul 04 16:39:57.198 CEST 2022: No C13 data available
Mon Jul 04 16:39:57.215 CEST 2022: No HMBC data available
Mon Jul 04 16:39:57.244 CEST 2022: Elapsed time for evaluation (XD Suite): 0.01 s.
Mon Jul 04 16:39:57.266 CEST 2022: Elapsed time for evaluation (SPD Suite): 0.02 s.
Mon Jul 04 16:39:57.431 CEST 2022: Structure is used: true
Mon Jul 04 16:39:57.434 CEST 2022: MOL-File E:/TopSpin4.0.8/data/EU_Openscreen/CMCq/CMCq/nmr/Consistent/A1_OS_Plate04_A1/1/A1_OS_Plate04_A1-e041b90b-9936-41ea-a201-1f352e16762b.mol
Mon Jul 04 16:39:57.437 CEST 2022: Elapsed time for evaluation (STD Suite - BCH): 0.17 s.
Mon Jul 04 16:39:57.448 CEST 2022: Initial check warning: SR is not equal to zero; this might not be intended!
Mon Jul 04 16:39:57.451 CEST 2022: Elapsed time for evaluation (ICH Suite): 0.01 s.
Mon Jul 04 16:39:57.454 CEST 2022: Elapsed time for evaluation (EFCH Suite): 0.00 s.
Mon Jul 04 16:39:57.457 CEST 2022: Spectrum is not 13C decoupled.
Mon Jul 04 16:39:57.459 CEST 2022: Spectrum does not contain ERETIC signal.
Mon Jul 04 16:39:57.462 CEST 2022: Spectrum is suppressed.
Mon Jul 04 16:39:57.464 CEST 2022: Elapsed time for evaluation (SPT Suite): 0.01 s.
Mon Jul 04 16:39:57.469 CEST 2022: Suppression frequencies at: 4.654 
Mon Jul 04 16:39:57.472 CEST 2022: Elapsed time for evaluation (SFF Suite): 0.00 s.
Mon Jul 04 16:39:57.474 CEST 2022: Expected impurity: TMS
Mon Jul 04 16:39:57.477 CEST 2022: Expected impurity: DMSO_D5
Mon Jul 04 16:39:57.479 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 16:39:57.482 CEST 2022: Elapsed time for evaluation (IMR Suite): 0.01 s.
Mon Jul 04 16:39:57.484 CEST 2022: RMSD noise: 29858466.541 (8.583/8.083)
Mon Jul 04 16:39:57.486 CEST 2022: Elapsed time for evaluation (ND Suite): 0.00 s.
Mon Jul 04 16:39:57.489 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_CORR_STANDARD): 0.00 s.
Mon Jul 04 16:39:57.493 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.00 s.
Mon Jul 04 16:39:57.517 CEST 2022: Elapsed time for evaluation (BASL Suite - BASL_POINTS_GOL): 0.02 s.
Mon Jul 04 16:39:57.599 CEST 2022: Number of Peaks: (73, 19)
Mon Jul 04 16:39:57.603 CEST 2022: Elapsed time for evaluation (PP Suite): 0.08 s.
Mon Jul 04 16:39:57.605 CEST 2022: Elapsed time for evaluation (EPF Suite): 0.00 s.
Mon Jul 04 16:39:57.663 CEST 2022: Elapsed time for evaluation (SAR Suite): 0.05 s.
Mon Jul 04 16:39:57.666 CEST 2022: Signal-to-Noise ratio: 169.71 (1.789 ppm)
Mon Jul 04 16:39:57.668 CEST 2022: Elapsed time for evaluation (SND Suite): 0.00 s.
Mon Jul 04 16:39:57.671 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:39:57.674 CEST 2022: Elapsed time for evaluation (PRE Suite): 0.23 s.
Mon Jul 04 16:39:57.691 CEST 2022: Number of Multiplets: 128
Mon Jul 04 16:39:57.693 CEST 2022: Elapsed time for evaluation (MMG Suite): 0.02 s.
Mon Jul 04 16:39:57.735 CEST 2022: Number of Peak Cluster: 27
Mon Jul 04 16:39:57.741 CEST 2022: Elapsed time for evaluation (PCG Suite): 0.05 s.
Mon Jul 04 16:39:57.754 CEST 2022: Elapsed time for evaluation (IMSO Suite): 0.01 s.
Mon Jul 04 16:39:57.902 CEST 2022: Elapsed time for evaluation (SMOOTH Suite): 0.15 s.
Mon Jul 04 16:39:57.927 CEST 2022: Elapsed time for evaluation (PS Suite - BLOCK_5): 0.01 s.
Mon Jul 04 16:39:57.931 CEST 2022: Elapsed time for evaluation (PE Suite): 0.00 s.
Mon Jul 04 16:39:57.935 CEST 2022: Number of consistent PNS: 0
Mon Jul 04 16:39:57.937 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.00 s.
Mon Jul 04 16:39:57.944 CEST 2022: Number of consistent PNS: 45
Mon Jul 04 16:39:57.947 CEST 2022: Elapsed time for evaluation (PNS Suite): 0.01 s.
Mon Jul 04 16:39:57.952 CEST 2022: Elapsed time for evaluation (PS Suite - MP): 0.00 s.
Mon Jul 04 16:39:57.955 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:39:58.554 CEST 2022: Elapsed time for evaluation (BU Suite): 0.61 s.
Mon Jul 04 16:39:58.601 CEST 2022: CMC-assist project state: AutoInconsistent
Mon Jul 04 16:39:58.603 CEST 2022: INCONSISTENT: No or only invalid ProtonNumberSolutions.
Mon Jul 04 16:39:58.959 CEST 2022: Elapsed time for evaluation (FIN Suite): 0.40 s.
Mon Jul 04 16:39:58.962 CEST 2022: Elapsed time for evaluation (EXIT Suite): 0.00 s.
Mon Jul 04 16:39:58.965 CEST 2022: CMC-q finished in 1.93 s.
