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Improve jeol first PH0 value

Open lpatiny opened this issue 3 years ago • 8 comments

Based on the comment of @ak-jeol

Typically, if one applies a left shift of 19 points it will reduce the need for high order P1. Do you think you could add a point shift function?

Should we do something like we do for 'digitalFilter' with bruker format ?

@jobo322 What do you think

lpatiny avatar Aug 11 '22 13:08 lpatiny

Yes, you could do a left shift on Bruker data also.

Here is a Bruker data imported into our software (delta).

@.***

As you can see the first 68 points are related to the digital filter. Remember that the number of data points can change.

Would you like to have a copy of our software?

ak-jeol avatar Aug 11 '22 13:08 ak-jeol

@ak-jeol But your 19 points can not be extracted from the parameters in the file ?

lpatiny avatar Aug 11 '22 13:08 lpatiny

Unfortunately, not.

ak-jeol avatar Aug 11 '22 13:08 ak-jeol

Here are some parameter to phase the spectrum

image

lpatiny avatar Sep 01 '22 18:09 lpatiny

The digital filtering that we apply at the beginning move 19 points for the case of jeol data, the FID result is:

image

After FFT:

image

clearly, it is better than FFT without the shift:

image

jobo322 avatar Sep 01 '22 20:09 jobo322

@ak-jeol How does Jeol software make the phase correction ? Do you have published algorithm for automatic phase correction that we could implement in javascript ?

lpatiny avatar Sep 01 '22 21:09 lpatiny

Luc

There is a more in depth procedure that is used to correct for the digital filers and phase corrections.

Let me get the information together and I will send it to you.

Regards

Ashok

Ashok Krishnaswami JEOL USA Inc. 11 Dearborn Road Peabody, MA 01960

978.536.2304 @.***

On Sep 1, 2022 5:59 PM, Luc Patiny @.***> wrote:

@ak-jeolhttps://github.com/ak-jeol How does Jeol software make the phase correction ? Do you have published algorithm for automatic phase correction that we could implement in javascript ?

— Reply to this email directly, view it on GitHubhttps://github.com/cheminfo/nmrium/issues/1690#issuecomment-1234825296, or unsubscribehttps://github.com/notifications/unsubscribe-auth/A2FHYQRXVVQKLYVFXFZGXWDV4ERKBANCNFSM56IDJL6A. You are receiving this because you were mentioned.Message ID: @.***>

ak-jeol avatar Oct 11 '22 08:10 ak-jeol

seems the value of 19 points is not enough, those 2400 degrees for first order correction implicate approximately 7 points more to left shift. @ak-jeol do you know if JEOL data need to apply a first point scaling?

this ticket is related with:

  • https://github.com/cheminfo/nmrium/issues/2259

here is the code that calculate those 19 points related with digital filter https://github.com/cheminfo/jeolconverter/blob/master/src/utils.js#L7-L46

jobo322 avatar Apr 11 '23 03:04 jobo322