Small suggestions

Kyo Bin Kang

unread,

Feb 27, 2020, 2:51:06 PM2/27/20

to SMARTNMR

Hi,

Based on my first SMART experience, here I make several suggestions. Most of them are QoL improvements.

1) Link to NPAtlas query, or at least NPA ID, should be included in the exported result table.

2) In many cases people knows mw or MF of their compounds; so mass-based filter will be helpful to reduce down the long candidate list. This can be made within tables after export, but having it in the web result viewer will be better.

3) Formatting down the MNova peak list can be done inside the MNova. The setting will be saved in MNova, so if users do it in this way, they don't have to do the annoying formatting job again and again anymore. I'll update this to the document soon.

Message has been deleted

beowu...@gmail.com

unread,

Feb 28, 2020, 5:51:26 PM2/28/20

to SMARTNMR

Thank you very much, Kyobin! Your suggestions are very valuable.

We will look into 1) and 2). Like your instruction for the MNova input!

Chen

Raphael Reher

unread,

Feb 29, 2020, 9:22:47 PM2/29/20

to SMARTNMR

Hi Kyo Bin,

1) Thanks, I addressed this as an 'issue' in our SMART Github repository

2) you can order your results by Molecular weight, but I agree a Mass filter prior to SMART analysis would be extremely valuable

3) I updated the documentation today and will also address it in a video tutorial

Thanks for your suggestions!

Best,

Raphael

On Thursday, February 27, 2020 at 11:51:06 AM UTC-8, Kyo Bin Kang wrote:

Kyo Bin Kang

unread,

Mar 1, 2020, 11:16:14 PM3/1/20

to SMARTNMR

Why did you guys delete or revise the previous response? ;)

Thank you for quick follow-ups for my suggestion, and I'm so pleased to see my revision on the doc is now live!

This week I'll meet some NP chemistry guys in Korea and spread the usage of SMART. Prepare more server resources!

Cheers,

Kyo Bin

2020년 3월 1일 일요일 오전 11시 22분 47초 UTC+9, Raphael Reher 님의 말:

Reply all

Reply to author

Forward