Targetlynx Waters Data Export

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6 posts Page 1 of 1
Hi,

I'm looking for a possibility to export my data from the Targetlynx software in following format (or similar). Both Shimadzu (Labsolutions) and AbSciex (Multiquant) are capable of this.

________ Analyte 1 Analyte 2 Anlyte 3 ...
Sample 1 conc
Sample 2
Sample 3
.....

Do you have any idea?
I am looking for this, too.
since this has been floating around since December and no one has solved the problem, I'll bravely post a crude work-around. If anyone knows an official, proper way to do it, please, please post!

If you're not in a regulated environment, so you're OK about creating the table in Excel, there are various methods. Here's a very simple one:

(1) Copy your TargetLynx data all groups summary to a worksheet. You now have successive blocks of data, each for one compound, with rows for each sample.

(2) Add, somewhere to the right, a formula that looks to see if the current row has a compound name in column A, and if it does, picks it up; if it doesn't, it picks up the row above. This, taken from cell O9, will do the job:
=IF(LEFT(A9, 4) = "Comp", A9, O8)
You now have a compound name on every single row of your table.

(3) Now add something concatenating the compound name with the sample name. For example, in P9 we have:
=O9&D9
(My sample names happened to be in column D; this depends on the layout of columns you've chosen in TargetLynx).

(4) Set up a summary table with the sample names in a column and the rows headed by the compound names. If you want to use a simplified form ("Caffeine") rather than TargetLynx's long-winded "Compound 1: Caffeine", then sometimes it's easiest to have a second, hidden row with the full versions.

(5) For convenience, select the whole block of raw data and give it the name "all_data", and select the column in which you've constructed a unique compound-name-sample-name key "all_keys". You don't have to do this, but it saves you selecting the ranges and adding $-signs in the next step.

(6) In the whole block of the table, enter a formula such as the following:
=INDEX(all_data, MATCH(C$6&$B10, all_keys, 0), 12)
Column B contains the sample names, and Row 6 contains the compound names in TargetLynx's format. C$6&B$10 therefore creates a concatenation identical to the keys you made in the raw data at stage (3). The dollar signs mean that as you copy it to fill the whole block, the key is always built from the correct column and row. "MATCH" finds the row-number of the key for the correct combination of compound and sample. "INDEX" returns data from that row, from column 12 in this case. Change "12" to indicate which column contains your final results.

This procedure breaks down if you run the same sample multiple times (because it will have the same key every time; you'd need to add something to the key or the sample name to reflect which replicate run it is).

The procedure does, however, cope with bracketing, because it will keep looking until it finds the sample name, whatever bracket it's in.
Export to xml file and open exported file in excel. Save data as more common file types like xls that can be imported into data processig software like sas and R. The xml file is created with information as variables with each injection as an observation that makes data extraction/sorting easy. I had the same problem, atleast in the newer versions of targetlynx this works well.
… nice.... do you have any hints on how to get from the resulting table, which has multiple rows, each row corresponding to one compound in one file, to the layout the original poster asked for, a two-dimensional table where each row contains all the data from a single sample, and each column contains the data for one analyte in all samples? I do wish manufacturers would make it easier to get this layout, as it's one that many people request.
Your table is certainly far more useful than the all groups summary, because it has the compound names and sample names on every row, which as you said, should make filtering easier. I briefly had a look at using a pivot table and failed completely, but haven't time to look at it properly just now. Thanks for this suggestion!
Unfortunately I dont have any good suggestion on how to do it in targetlynx. As long as I can get a complete dataset in a variable /observation format I am satisfied, I usually always have to sort data into one long and one wide dataset anyhow. I do agree what you ask for is often the most relevant data that gets extracted, it is a pity there is no good targetlynx manual available.

Still think data extraction sorting is best done in programs like SAS and R as it save a lot of time in the end but likely not to much effort to do in excel either with a bit of custom sorting and copy paste.
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