| Merging files error [message #862] |
Tue, 21 April 2020 22:45  |
Adk2020
Messages: 5
Registered: April 2020
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Junior Member |
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Hello All,
I both new to data warrior and this form, so forgive the naivety of the question. When I try to merge two files (both of which are csv files) I get the following error- source column not defined - see attached file. The incoming file has two more columns than the file I want to merge with. What am I missing?
While I have your attention, these two files represent a primary screen of 262 molecules and a confirmatory screen (hits) of 111 cmpds. The data file for the primary screen will eventually ave the same number of column descriptors as hit confirmation file. What I'd like to use data warrior is to compare both files across all descriptors and determine which/why molecules didn't confirm. For example, if the only 5 out of 50 aryl halides confirmed, how do the hits differ from the non hits.
I think this software is really cool and has lots of potential for visualizing analyses of this type and more. Thank you for your time and consideration.
Frank
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| Re: Merging files error [message #867 is a reply to message #866] |
Wed, 22 April 2020 20:56  |
thomas
Messages: 715
Registered: June 2014
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Senior Member |
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sorry, I wasn't precise. A csv file is a text file with row entries separated by commas. If you, however, double click it on Windows, it often opens in a spreadsheet application (e.g. Excel), where you cannot see the commas anymore, because they are removed in the process of splitting up a line's content into individual cells.
To see the commas and add a column header you need to open the file in a text editor. On Windows, if you don't have anything better, you should be able to use Notepad for it.
What you could do alternatively is to just copy all relevant cells in Excel and paste it into DataWarrior (Edit->Paste). That way you get a new DataWarrior window with all the information. For every column that contains Smiles you automatically get a new structure column. If you have empty columns, you can delete them within DataWarrior. You may then save the file. Do that with the other file as well. Then you can merge both DataWarrior files. The only thing to make sure is that the first line of copied cells contains column names and that none of the copied cells in the first line is empty.
Hope this works,
Thomas
PS: for other questions you may also contact me privately on the e-mail in the openmolecules.org about.
[Updated on: Wed, 22 April 2020 21:00] Report message to a moderator |
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| Re: Merging files error [message #873 is a reply to message #862] |
Sat, 25 April 2020 15:33 |
Adk2020
Messages: 5
Registered: April 2020
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Junior Member |
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Thomas no apologies necessary. Thanks for your help and the offer, but I'll post my questions publicly, this way it may help other beginners having similar issues. Have a good day.
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