Example #1
0
        public PrecursorResultSummary(Precursor precursor, IEnumerable <PrecursorResult> results)
            : base(precursor.DataSchema)
        {
#pragma warning disable 612
            Precursor = precursor;
#pragma warning restore 612
            var bestRetentionTimes   = new List <double>();
            var maxFhwms             = new List <double>();
            var totalAreas           = new List <double>();
            var totalAreasNormalized = new List <double>();
            var totalAreasRatio      = new List <double>();
            var maxHeights           = new List <double>();
            var detectionQValues     = new List <double>();
            foreach (var result in results)
            {
                if (result.BestRetentionTime.HasValue)
                {
                    bestRetentionTimes.Add(result.BestRetentionTime.Value);
                }
                if (result.MaxFwhm.HasValue)
                {
                    maxFhwms.Add(result.MaxFwhm.Value);
                }
                if (result.TotalArea.HasValue)
                {
                    totalAreas.Add(result.TotalArea.Value);
                }
                if (result.TotalAreaNormalized.HasValue)
                {
                    totalAreasNormalized.Add(result.TotalAreaNormalized.Value);
                }
                if (result.TotalAreaRatio.HasValue)
                {
                    totalAreasRatio.Add(result.TotalAreaRatio.Value);
                }
                if (result.MaxHeight.HasValue)
                {
                    maxHeights.Add(result.MaxHeight.Value);
                }
                if (result.DetectionQValue.HasValue)
                {
                    detectionQValues.Add(result.DetectionQValue.Value);
                }
            }
            if (bestRetentionTimes.Count > 0)
            {
                BestRetentionTime = new RetentionTimeSummary(new Statistics(bestRetentionTimes));
            }
            if (detectionQValues.Count > 0)
            {
                DetectionQValue = new DetectionQValueSummary(new Statistics(detectionQValues));
            }
            if (maxFhwms.Count > 0)
            {
                MaxFwhm = new FwhmSummary(new Statistics(maxFhwms));
            }
            if (totalAreas.Count > 0)
            {
                TotalArea = new AreaSummary(new Statistics(totalAreas));
            }
            if (totalAreasNormalized.Count > 0)
            {
                TotalAreaNormalized = new AreaNormalizedSummary(new Statistics(totalAreasNormalized));
            }
            if (totalAreasRatio.Count > 0)
            {
                TotalAreaRatio = new AreaRatioSummary(new Statistics(totalAreasRatio));
            }
            if (maxHeights.Count > 0)
            {
                MaxHeight = new AreaSummary(new Statistics(maxHeights));
            }
        }
Example #2
0
 public void ChangeChromInfo(EditDescription editDescription, Func <TransitionGroupChromInfo, TransitionGroupChromInfo> newChromInfo)
 {
     Precursor.ChangeDocNode(editDescription, docNode => docNode.ChangeResults(GetResultFile()
                                                                               .ChangeChromInfo(docNode.Results, newChromInfo)));
 }
Example #3
0
 public override ElementRef GetElementRef()
 {
     return(PrecursorResultRef.PROTOTYPE.ChangeChromInfo(GetResultFile().Replicate.ChromatogramSet, ChromInfo)
            .ChangeParent(Precursor.GetElementRef()));
 }
Example #4
0
 public PrecursorResult(Precursor precursor, ResultFile file) : base(precursor, file)
 {
     _chromInfo = CachedValue.Create(DataSchema, () => GetResultFile().FindChromInfo(precursor.DocNode.Results));
 }
Example #5
0
        public void ChangeChromInfo(EditDescription editDescription, TransitionGroupChromInfo newChromInfo)
        {
            var newDocNode = Precursor.DocNode.ChangeResults(GetResultFile().ChangeChromInfo(Precursor.DocNode.Results, newChromInfo));

            Precursor.ChangeDocNode(editDescription, newDocNode);
        }