Blog Archives

TraceFinder Webinar series in Begins in October


please click the link below for more information.

http://www.thermoscientific.com/content/tfs/en/about-us/events/tracefinder-webinar-series.html

Links to each webinar listed below:

 

TF 3.0 has some new homes for some functions previously available

Part of the process of looking at User Interface changes, is being able to make sure that we present a logical way of navigating to things, that we may not use on a regular basis. This makes it easier for the end user to remember where to get to that special function, when they need it.

So in the application we still have many right click options, but we have also moved many of the scattered functions into the menu drop downs.

These changes have come from customer request or questions about where functions are.

So here are the most used functions that are not directly data linked.

If the video is blurry please click the cog wheel at the bottom of the panel and increase the video display resolution.

Excel rules the world or at least it thinks it does…..

So, this week we’ve gotten a few questions on importing a sample list in CSV format.

There is an error that can occur if the csv file you exported and made adjustments to, is still open in Excel when you try to reimport it.

Unfortunately, the error message isn’t as descriptive as maybe it should have been, but it did give us a chance to post another answer to a “Ask A Guru” question

If the video is blurry please click the cog wheel at the bottom of the panel and increase the video display resolution.

What the Heck is ACTIVE VIEW??????(Answer to a “Ask A Guru” question)

Active View is another visualization of the data that is on a Sample Centric Report. These are only availible today on samples that display chromatograms for compounds and contain grouped sample information.

Sucha as the High Density Reports, in the standard reports section of Report View.

When using Report View we generate a temporary view of the report that would be produced by the system. This view is only for the supplied Standard reports delivered with TF and is not available with Custom Reports, today. (Hint be looking to the future.)  😉

But when the report is generated in preview mode, and it has an ActiveView partner, the Active View tab will appear next to it.

In the Active View tab, you will see a grid of data that corresponds with data on the Report and the same Detailed Editing elements in Data Review, with the same functionality.

When data is changed in Active View it is just like editing in Data Review and results are updated.  When this happens and indicator appears to let you know new results are availible for the report. Once clisked the Report is updated. The information is saved. In this manner you can use Report View as your data editor and see exactly what you are giving your clients in real time. You can at this point choose to generate the report, or make all your edits and then generate the reports in a batch process.

If the video is blurry please click the cog wheel at the bottom of the panel and increase the video display resolution.

Making changes in to the multiple peaks in a compound (Answer to a “Ask A Guru” question)

There are times that a chemist may make a method from a PMD file or from CDS, and things need to be changed.

An istance would be swapping an existing quan peak with its confirming peak, or removing a confirming peak.

These changes while seemingly trivial can be a hassel if you have to do many of them. So the TF team has given these options as right click contect menus to make it easier to perfrom these functions.

Watch the video below to get an idea of how to use these tools.

If the video is blurry please click the cog wheel at the bottom of the panel and increase the video display resolution.

Matrix Spike and Matrix Spike Duplicate… Understanding the how it works.(Answer to a “Ask a Guru” question)

A question from the Ask a Guru was how to use MS/MSD samples and reports, well read below.

In the Environmental realm there is an experiment for a Matrix Spike and a duplicate, when compared to an unknown sample.

This allows for the chemist to calcualte a recovery of of the compounds contained in the unknown sample.

To set up the experiment the chemist needs three sample types.

  1. Matrix Spike – with compounds spiked into it at a known level
  2. Matrix Spike Duplicate –  with compounds spiked into it at the same level as the Matrix Spike
  3. Unknown – a sample with unknown amounts

Under QAQC tab of the Master/Local Method the concetrations of the spikes compounds must be entered in the grid for the MS and MSD tab.

In the Batch View the samples to be grouped together and used to report the Recovery must have the same SAMPLE ID. There must be one of each SAMPLE TYPE, but each one must have the sample SAMPLE  ID text in their individual grid cell.

When the batch is processed the data for recovery will be calcuated and a MS/MSD Report can be generated that displays the information about this experiment.

See the picture below of the report in Report View.

Thanks to Gail Harrison for her suggestion on a blog post.

Need To Look At Files With Data Dependant Experiments?

Though TraceFinder is primarily a quantitation application, it does have some provisions for unknown identification.

Mainly used in Single Quad or Ion Trap Analysis, the qualitative processing allows for scanning files along a TIC for peaks of interest and then eliminating the known targets and performing library searches against the unknown peaks. Also, TF gives the ability to look at the peaks that generate data dependant scans(DDS). It will sum the spectra and compare to a NIST style library.

To utilize this feature you must have two things. One a Method template, with the parameters set for Qualitative processing and DDS enabled, and a Sample Type of either and Unknown/TIC or Unknown Qual.

If you are performing Quantitative processing those will be perfromed first and Qualitative will occurs on the sample after Quan results are created.

If you have Qual resuts in data review you will have a green button to select the QualView.

Follow the the Video in setting up a Method Template and then using it in a Batch to review qualitative results.

If the video is blurry select the cog wheel in the lower right of the video window and adjust the resolution setting.

Quick Path to Data

Below is a short video on how to enter a batch using a template and begin to acquire.

At the beginning of  batch creation from a previously created template, containing the instrument method, processing method and desired reports.

Next you’ll see the ability to import a sample list from variety of file types and then submission of the batch.

Once submitted then user can watch the realtime trace of the collecting data segmented into a customized veiw  components and their order. While also having the capability to see the batch processing on the fly with a growing calibration curve and results.

If the video is blurry select the cog wheel in the lower right of the video window and adjust the resolution setting.

There Can Only Be One… Calibration Point

Even though its the most memorable line from the movie “Highlander”, this statement has come up many times for assays where semi quantitation occurs in screening analysis.

One way to accomplish a rough estimate calculated amount is to use the ability to use a single calibration level for a compound.

When you do this there are two settings in the Method setting that can be used.

Selecting Average RF allows for the average response factor for a calibration curve to be calcualted. If you use cal one point

the response of the point will be compared to the response of the compound in the sample and a rough estimate based on the

average will estimate the calcualted amount.

If using a linear curve and one point, you MUST set the Origin setting to Force. This sets the origin at Zero and draw the curve

the response of the one calibration point. Thereby giving you a curve to estimate the calcualted amount from.

There is a third way using Internal Standards, but we’ll save that for another day.

Wizards and Batches… Removing the Warlock….

In TF there are three main choices to create batches. Each of these come from historical markets that TF is serving.

To start there is a selection of the type of creation you want to see. This is located in the Configuration mode under the Optional features section.

This allows the user to choose between the LabForms style wizard and the TraceFinder Acqustion Mode.

The TraceFinder Mode was made to make a wizard like workflow that naturally fit inside the application, and had a bit more intellegent checking of criteria before submitting a batch for Acqusition. This is the reason, that there are four mode buttons when it is enabled.

The Historical LabForms wizard was left in place to allow for users of that product to transition their existing workflow into the new application of TraceFinder.

Thereby, reducing the cost of the move. This view is more of a popup window and has some unique features. Eirther one allows for templates to be made and utilized in batch creation.

Finally Batches can just be made in a regular, non-templeted fashion by using the Batch View new batch selection.