Chromatography data handling of ASCII data

[moecat]

What I'd like to do is use a desktop scanner to collect images of TLC plates and then do image analysis to create 'chromatograms' of intensity versus distance.

For example, here's a TLC plate:



I can take line profiles of the pixel intensity along the elution lane.



Which I can export as ASCII data of distance versus intensity. Here I'm using a graphics program to display and smooth the data.



What I LIKE to do, is to be able to handle this ASCII data as I would typically manipulate time based chromatography data. For example, I'd like to integrate, set baselines, and zoom on regions.

Any ideas what program might be able to do this?

[DR]

I'm not sure how well it would handle distances, but the software associated with any gel scanner (densitometer) should be able to yield area and intensity information. You might also experiment with the software that comes with most good compound microscopes. These packages generally include tools that can deliver measurements and areas. I wouls assume that you could import a tiff file, input some scaling information and then use the measurement features. (This all assumes that nobody has written software for scanners & TLC plates).

[jwmol]

If you have a way to create ASCII data it is easy to import into a CDS like EZChrom since it accepts ASCII data as one of the standard chromatogram formats. Looks like this:

Code: Select all

Version:	3
Maxchannels:	1
Sample ID:	PNA-STDS
Data File:	C:\EZChrom Elite\Enterprise\Projects\Default\Data\multi calibration level 1-Rep6.dat
Method:	C:\EZChrom Elite\Enterprise\Projects\Default\Method\untitled.met
User Name:	admin
Acquisition Date and Time:	11/26/1990 8:48:53 PM
Sampling Rate:	1.690141	Hz
Total Data Points:	1014	Pts.
X Axis Title:	Minutes
Y Axis Title:	Volts
X Axis Multiplier:	0.016667
Y Axis Multiplier:	1e-006
-7
-14
-17
-22
-12
-21
-9
-15
-10
-13
-23
-15
-22
-12
-22
-15
-21
-16

[philippem]

Hi,

I would suggest to contact CAMAG, a supplier of TLC and equipment. Most probably they will know an answer to your questions.
If one can use an existing software package it should be much simpler to work with , instead of developping an own software application.

Do you needs this information in a regulated envrionment ?

Greetz
Philippe

[moecat]

No, I'm doing this as a hobby. I have the image analysis software, it does what I need in that regard, what I would like to have is the chromatography software component.

I don't think having distance based data would be any different than handling data that is time based.

This is a general problem. If I only have intensity versus time (or distance) data in ASCII format, how do I perform chromatography software functions on it easily.

I think just using spreadsheet calculations etc. appears the way to go.

[Tim]

One suggestion would be to get your data into ANDI format, which most Chromatography Systems can use. I've no experience of the format, but there are details on www.astm.org, but as ever you have to pay (unless someone can find a copy elsewhere).

http://www.astm.org/cgi-bin/SoftCart.ex ... e+rpwd2606

and

http://www.astm.org/cgi-bin/SoftCart.ex ... 1128623090

[jwmol]

Perhaps I did not make myself completely clear. Simple 3-step appraoch:

1. Create ASCII file: add simple header information to list of ASCII values
2. Load into EZChrom using standard File Open
3. Integrate the "chromatogram" using standard method settings

1. ASCII format

Code: Select all

Version:	3
Maxchannels:	1
Sample ID:	PNA-STDS
Data File:	C:\EZChrom Elite\Enterprise\Projects\Default\Data\multi calibration level 1-Rep6.dat
Method:	C:\EZChrom Elite\Enterprise\Projects\Default\Method\untitled.met
User Name:	admin
Acquisition Date and Time:	11/26/1990 8:48:53 PM
Sampling Rate:	1	Hz
Total Data Points:	25	Pts.
X Axis Title:	Inch
Y Axis Title:	Intensity
X Axis Multiplier:	1
Y Axis Multiplier:	1
0
1
2
4
8
16
32
64
128
256
512
768
864
768
512
256
128
64
32
16
8
4
2
1
0
0
0

3. Result


JW

[Bob Lott]

Varian's Chromatography Data System Galaxieâ„¢ can import ASCII files in the manner you wish. Once imported it will behave as any other chromatogram. Our in built calculation engine may then be used for further data processing.

Bob