Custom Calculations Dissolution Profile

Hello,

The example below shows how I would pull the peak retention time from the previous standard for each compound. I did this to compare each injection to the previous cal standard for an RT error calculation. Please note we do have a report package for dissolution. 

CurrentSequence.AllIdentifiedPeaks.Where(function (x) x.Compound_Name = CurrentPeakOrGroup.Compound_Name).Where(function (x) x.Injection.CreationTime < CurrentInjection.CreationTime).Where(function (x) x.Injection.Sample.Sample_Type = 1).OrderByDescending(function(x) x.Injection.CreationTime).Select(function(x) x.Peak_RetentionTime).First

/cfs-file/__key/communityserver-discussions-components-files/26/Dissolution_5F00_Overview_5F00_Update01.pptx

Hi Martin, 

I'm curious, does your cumulative dissolution plot account for the material removed in the previous samples?  I'm new to Open Lab and am building my own custom calculations for dissolution.  I'm able to calculate the amount of mg in each timepoint but unsure how to account for what's already been removed in previous timepoints from the relevant vessel.  This may actually be similar to the original question but I'm specifically trying to sum the mg removed in each previous fraction.

Can you shed any light on how to approach this?

Many Thanks

Kieran

Hello,

Yes, it does include the ability to compensate for the previously removed aliquots amount and the vessel volume reduction. Since it is a paid solution, I cannot go into great detail. The solution involves building an index for the timepoints and capsules, then using those indexes to include only previous time points in the summations. See below for an example of building an index for a value. In this case, I wanted to build an index for unknown peaks by signal to allow specific sorting to be done in injection results in DA. 

Marty Adams

CurrentInjection.AllNotIdentifiedPeaks.Where(function (x) x.Signal.Signal_Name = CurrentSignal.Signal_Name).OrderBy(function(x) x.Peak_RetentionTime).Select(function(x) x.Peak_RetentionTime).Distinct.ToList.FindIndex(function(x) x=Peak_RetentionTime)+1

Hello,

Yes, it does include the ability to compensate for the previously removed aliquots amount and the vessel volume reduction. Since it is a paid solution, I cannot go into great detail. The solution involves building an index for the timepoints and capsules, then using those indexes to include only previous time points in the summations. See below for an example of building an index for a value. In this case, I wanted to build an index for unknown peaks by signal to allow specific sorting to be done in injection results in DA. 

Marty Adams

CurrentInjection.AllNotIdentifiedPeaks.Where(function (x) x.Signal.Signal_Name = CurrentSignal.Signal_Name).OrderBy(function(x) x.Peak_RetentionTime).Select(function(x) x.Peak_RetentionTime).Distinct.ToList.FindIndex(function(x) x=Peak_RetentionTime)+1

Thanks Martin, understood. Thank you for the example of the indexing.

Just to confirm, in order to direct any sum calculation to the correct injection, I assume you would ensure that, in the sequence, the "label" value is consistent for samples from the same source?

Many thanks

Kieran

Hello,

Yes, in the CCF for the dissolution report there are a few options to identify the timepoints and the vessel or capsule between timepoints. The simplest example would be to use the sample name. Below is a simple example of the sequence used with the dissolution report. You could really use the fields you want including sample custom fields as needed. 

Marty

Vessel 1_05hrs

Vessel 2_05hrs

Vessel 3_05hrs

Check STD

Vessel 1_10hrs

Vessel 2_10hrs

Vessel 3_10hrs

Check STD

...