Category Archives: Custom Reports

Internal Standard Retention Time and Peak Width Diagnostic Chart

This a useful and simple report that is best viewed in Excel.

Click here to download the zip file:

Internal Standard Retention Time and Peak Width At Half Height

Place in the folder: C:\TraceFinderData\4.0\Templates\ReportTemplates

The chart shows the Retention Time and the Chromatographic Peak Width at Half Height,  in a line chart over the entire batch. It should show you the performance of the internal standard and the reliability of the chromatographic conditions.  A moving retention time and/or a widening of the chromatographic peak may indicate issues with the columns or mobile phase. This is useful in determining the health of the system and variability of the assay over time.

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The Chromatographic Peak Width can be attained by setting the conditions in the detection portion of the method as shown below. You can change the width measurement to be any desired value. Default is 50% of peak height, though 25% may better gauge peak fronting or tailing.

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The report is currently set up to show 59 samples from the data table. If your data set is typically large or smaller you can adjust the ending row in the series section of the chart dialog. Simply open the editor for this report, double click on the chart and the dialog will open as shown below. Expand the section for the Data Source/Series and enter your typical ending row. Any empty cells will not be charted.

Internal Standard plot series settings

Residuals Chart Report Template

In many instances, individuals wish to see the residual values of their calibration curves. This plotted chart may give a better visualization of how the curve is actually performing versus the singular R-squared value.

Click here to download the report templates for data that contains either internal or external standard curve types: Residual Chart Reports

Extract the files to the file location: C:\TraceFinderData\4.0\Templates\ReportTemplates

For use with TraceFinder 4.0 and later versions.

Presented are charts in both natural and logrithmic scales. If you only require one type of chart, the delete the one not desired and resize to meet your needs.

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The chart will automatically adjust for a normal amount of calibration standards or a large validation set.

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Internal Standard Charting Report – TF 4.1

This a useful and simple report that is best viewed in Excel.

Click here to download the zip file: Internal Standard Response Chart

Place in the folder: C:\TraceFinderData\3.3\Templates\ReportTemplates

The chart shows the response in a line chart over the entire batch. It should show you the performance of the internal standard and if you have carry-over in samples such as a Solvent or Double-Blank sample. This is useful in determining the health of the system and variability of the assay over time.

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The report is currently set up to show 59 samples from the data table. If your data set is typically large or smaller you can adjust the ending row in the series section of the chart dialog. Simply open the editor for this report, double click on the chart and the dialog will open as shown below. Expand the section for the Data Source/Series and enter your typical ending row. Any empty cells will not be charted.

Internal Standard plot series settings

TF3.3 Example of a Sample Report Using Compound Groups

This a series of reports based on one set of common elements. The only difference is the activation of elements in the grid. This shows how one report can simply be utilized to create multiple reports. Utilizes basic Excel functions.

This particular report makes use of two fields in the method that contain free text entries on a compound basis and are repurposed. The fields are used to add a comment for labeling a compound and to calculate a flag based on library score.

Click here to download the templates. Sample Quantitation-Sorted by Compound Group then Comment With Library01

Simply unzip into the folder C:\TraceFinderData\3.3\Templates\ReportTemplates

Grouped Sample Report

UnGrouped Sample Report

The data table utilizes many custom functions to create this functionality. These functions are typical Excel function statements. All the examples I used to construct this report were found by searching for them on the net.

Sample table

The data table utilizes a sort function by utilizing the Compound Group as the first sort. By checking the Repeat Header Per Group element and unchecking the Grid Entry allows for the element not to shown in the grid but raises it to the row above the set of rows that represent the Compound Group. This give a natural division between the groups. The second sort can be by compound name, or by comment. In these reports we utilized the comment to label the compounds as a parent or metabolite. By using the secondary sort in Descending order you can ensure the parent is listed first in the group and metabolites next in alphabetical order.

The data table is constructed as listed below.

  • Compound Name – peakresult.compoundName
  • RT(Custom Column)– if(peakresult.peakfound = false, “N/F”, Text(peakresult.rt, “0.00”))
    • This function declares a N/F for not found compounds, but sets the RT to a limit of 2 decimal places
  • RT Drift – peakresult.rtDrift
  • Quan Peak – peakresult.detectedMass
  • MZ Delta PPM (Custom Column)– IF(peakresult.peakfound = false, “N/F”,(quanresults.mass-quanresults.detectedMass)/quanresults.mass*1000000)
    • This function sets the cell to show N/F in case of a peak not being found. If a peak is found it calculates the PPM mass difference and sets the value to be positive.
  • Response – quanresults.totalresponse
  • Calculated Concentration (Custom Column)– if(peakresult.peakfound = false, “N/F”, if(sample.issolventsample,””,quanresults.reportedinsampleconcentrationprefix & Text(quanresults.reportedinsampleconcentrationdouble, “0.000”)))
    • This function sets the cell to show N/F in case of a peak not being found. It sets the value of the calculated amount to be converted to TEXT and limited to 3 decimal places of precision.
  • Outcome (Custom Column)– IF(quanresults.calcAmount= “N/F”, “Absent”,  IF(VALUE(quanresults.calcAmount)>= VALUE(compound.LOR), “Present”, “Absent”))
    • This function sets the cell to show “Absent” in case of a peak not being found. The next if statement sets the VALUE of the stored results to number. At times in reports, the results may be a string or text, by using VALUE the text is set to a number. The number of the results for Calculated Amount is compared to the Limit of Reporting value set in the method. If it is greater than the LOR value then “Present” is reported in the cell. In all other cases “Absent” is reported. This function could simply report the presence or absence of the compound utilizing the LOR flag as being TRUE or FALSE. However, that flag is only present for Unknown/Specimen sample types. This function allows the statements to be utilized across all sample types.
  • Library Score % – quanresults.libraryMatchScore
  • Lib Score Threshold – compound.CASNumber
  • Library Flag (Custom Column)– IF(INT(quanresults.libraryMatchScore)>= INT(compound.CASNumber), “Pass”,”Fail”)
    • This statement converts the values of the Library Match Score and the value entered into the Case Number to Integers. The value then can be utilized to evaluate for being above the threshold value which the Case Number value was utilized for. If it’s above the value then the flag is “Pass”, otherwise the cell will reflect “Fail”.
  • Comment – compound.LIMSID

The RED text in the Outcome column utilizes the settings below.

condition1

condition2

condition3

The Power of Reporting – Is it Magic or Tracefinder3.1?…. New Preview of Report Designer with TF 3.1

One of the most requested features is to have an easier way to create custom reports.

Though TF has some great Standard Reports, and a really powerful VBA-Excel custom reporting tool. We’ve been investigating ways to make it easier to create custom reports.

The new Report Designer that will be in Preview form, debuts at ASMS 2013.

The learning curve is low, because it looks and feels like Microsoft Excel . Yet it is powerful, because you can do many the same special functions as Microsoft Excel.

Even if the Report Designer doesn’t have quite the feature you need, but Excel does, simply open the template in Excel from within the Designer. There you can make edits and save the template.

When you use the Excel edited template to create reports those edits are used.

As stated previously, this is a PREVIEW. This means that anyone can use the designer, but it is not a final commercial version.

If you wish to use it for reporting data, as with any custom report template, YOU must validate that the report template generates the correct information.

We will be looking for feedback on issues found or features to be added. Starting soon there will be a page on mytracefinder.com just for the Designer, where updates and feedback will be available.

Below is a video of how to use the Report Designer to create a simple report from a blank page.

The Report Designer uses the data from the currently opened Batch of Samples and results to model the data. This allows you to see exactly what the final report will look like when it’s produced within the application.

The video is a bit longer than usual but shows how simple it is to create a report which uses special features, such as formulas and conditional formating.

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

Importing a new custom report template

There have beena few request lately that once a customer recieved their newly created custom report from our Report Service that it wasn’t clear right off the bat how to get the template into TraceFinder for use.

The video below shows how to import the xmlt file which is a VBA enabled template written by our “Professional Service” group when you make a request via the blog or sales team.

It then shows how to make sure you can can use it in the application once you’ve imported it.

The video is from the soon to be released TF 3.0 but the workflow is the same.

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

The results can be seen below.

 

 

Custom Reports and How to request

So today I’m going to Blog about the Blog.

This last week, I’ve had several requests on custom reports. If you look on the tab pictured below you’ll see a form on the Blog, that gets sent directly to the TF team. We just need to make sure we get your contact info and someone will liason your request.

We provide a professional service, that is solely dedicated to creatin these Templates that can be imported directly into TF. With our data structure we can provide almost any style of report needed, within the Excel framework.

An example of the an intersting request, was a metabolism heat map of calculated concentrations, that displayed compounds as rows and sample/groups as columns and then applied conditional formation to color code the results.

All this was accomplished in a small amount of VBA, and turned around quickly.

So let us hear from you, and your ideas of how you’d like to see your data either in reports or in new views within the application.

“Got Data?” – New Version on the way – TF 2.1

We are glad to announce that TraceFinder 2.1 is being cut to disks this week and will be on the shelves shortly.

The version has many “bug” fixes and performance improvements, but the BIGGEST feature is the ability to be run  on any detector Thermo supports. So if yo have a QExactive or a FID standalone GC, its supported. As well as, blended configurations.

So “Got Data?” we have a tool for you.

Plus soon to be published iBook for getting started with TF. “The Guru Guide”, written by the product manager for TraceFinder.

Remember if you have a question please fill out the form on the “Ask A Guru” tab. That message goes directly to the product manager or one of the support staff.

Custom Reports Suddenly Stop Working????? Here’s a reason and a Fix!!!!

If you (suddenly) get an error like the following (which may vary depending on OS) when generating custom reports, it is likely caused by a recent security update for MS Office.

 

 

Good news is that Microsoft realized this problem and provided a “fix it” tool at http://support.microsoft.com/kb/2703186.

 

This is what happens based on my investigation if you care:

 

There is an EXD file created for some VB 6.0 runtime files when you use the controls provided by the runtime files in the Visual Basic designer. Those files are located in %APPDATA%\Microsoft\Forms\ folder (which may vary depending on OS). The problem is that, when security update installs new versions of certain runtime files, the EXD files become invalid and hence this error occurs.

 

To fix the error, you need to delete the EXD files and they will be re-created as needed. To delete those files, you can either use Microsoft provided “fix it” tool from the link above, or go to the folder directly and delete them.

 

This link http://technet.microsoft.com/en-us/security/bulletin/ms12-027 gives you some details why the security update is necessary and which software are affected.

 

A Quick Note on OneNote and Report Printing?

Is Microsoft OneNote hijacking your print jobs?

on April 25

While we don’t usually focus on tech support issues here on the Office Blog (that’s what the Microsoft Answers forums are for), let me shine a quick light on a recurring issue that has caused some of you to scratch your heads and write in about.

In a nutshell, the problem appears to be that OneNote 2010 (or OneNote 2007) intercepts all of your print jobs whenever you try to send any information from your other programs or your Web browser to your trusty printer. While you must admit that this is a great way to save paper and finally “go green,” it’s no laughing matter when your boss expects you to hand him or her a printed report and you can’t seem to do that.

What’s happening?

Until recently, you’ve always been able to print anything from your computer to your printer. Now, your print jobs seem to suddenly bypass your printer completely and go straight into Microsoft OneNote, where they appear like scanned images. You really want things to go back to the way things were and have your print jobs sent to your actual printer once again.

What’s causing it?

Microsoft OneNote comes with a nifty little utility called the Send to OneNote print driver. A print driver is a small piece of software that directs output from a computer to a printer. Typically, the operating system controls such software, so it can monitor how a computer talks to hardware devices like a printer. In the case of OneNote, a special print driver is installed that lets you send your print jobs as images into your OneNote notebooks.

The OneNote print driver wasn’t designed to override your printer settings and assume you want every print job sent to OneNote 2010. Instead, it’s intended to be waiting in the wings, available whenever you want to use it, and taking a backseat again whenever you’re done sending a particular print job to OneNote.

However, the OneNote print driver may have accidentally promoted itself to top dog in any of the following conditions:

  • You installed OneNote 2010 or Office 2010 with no physical printer installed or selected at the time, causing the Send to OneNote print driver to act as your default (preferred) printer.
  • You installed a new physical printer on your computer after installing OneNote 2010 or Office 2010, without promoting the printer to act as your default printer.
  • You share your computer with someone else who installed OneNote 2010 or Office 2010 and set the Send to OneNote print driver to act as the default printer.
  • Your printer software is incompatible with your operating system version and Windows has reverted to the Send to OneNote print driver as the default printer.

Even if you’re not really sure how it may have happened, there’s an easy solution.
Setting a default printer in Windows Control Panel

When the Send to OneNote 2010 print driver is marked as shown, print jobs will be sent to OneNote as images.
If you have a real printer installed, right-click its icon, and then click Set as Default Printer on the shortcut menu.
Your printer is recognized as the preferred printer for future print jobs when it has the check mark icon next to it.

How can I fix it?

On any edition of Windows 7, do the following:

  1. On the Windows taskbar, click the Start button.
  2. On the right side of the Start menu, click Control Panel.
  3. When Control Panel opens, click View Devices and Printers (if you’re in Category view) or click Devices and Printers (if you’re in Icon view).
  4. Right-click the printer icon that represents your physical printer, and then click Set as Default Printer on the shortcut menu.

If you’re using Windows Vista, the steps are nearly identical:

  1. On the Windows taskbar, click the Start button.
  2. On the right side of the Start menu, click Control Panel.
  3. When Control Panel opens, click Printer (if you’re in Category view) or click Printers (if you’re in Classic view).
  4. Right-click the printer icon that represents your physical printer, and then click Set as Default Printer on the shortcut menu.

If you do not see an icon for your actual printer, it’s likely that your printer is not correctly installed. Check the printer manufacturer’s website for any updated drivers that are specific to your version of Windows (for example, a 64-bit edition of Windows) and make sure that the printer is properly connected to your computer.

Don’t be hatin’!

Even if you had a bad first impression of the OneNote print driver hogging all of your print jobs, don’t be too quick to dismiss it even after you demote it from being your default “printer.” You might be surprised how useful it is to have the ability to print certain information right into OneNote.

Although digital printouts in OneNote are image files that you can’t edit, you can right-click such images in OneNote 2010 and extract the text from them with the Copy Text from Picture command. As long as the text in the image is large enough and legible, this works really well. You can then paste and use the copied text into your notes or elsewhere in your work.

When you’re properly introduced to it, the OneNote print driver is a pretty cool feature!  😉

Remember, whenever you have a technical support issue, head on over to Microsoft Answers — the official Support forums for OneNote and Office. It is monitored daily by knowledgeable and helpful members of the Microsoft MVP community, Microsoft Support, and the Office product teams.

— Michael C. Oldenburg