Dear Kay,
I have looked at XPAND and it looks like it is part of the O-package. Do you know if it can also be used stand-alone?
Best,
Herman
-----Ursprüngliche Nachricht-----
Von: Kay Diederichs [mailto:[log in to unmask]]
Gesendet: Mittwoch, 1. August 2018 15:00
An: [log in to unmask]; Schreuder, Herman /DE
Betreff: [EXTERNAL] Re: identifying bound ions
Dear Herman,
the "water scrutinizer" option of XPAND does this -. https://urldefense.proofpoint.com/v2/url?u=http-3A__www.msg.ucsf.edu_local_programs_ono_manuals_xpand-5Fman.html-23S7&d=DwIFaQ&c=Dbf9zoswcQ-CRvvI7VX5j3HvibIuT3ZiarcKl5qtMPo&r=HK-CY_tL8CLLA93vdywyu3qI70R4H8oHzZyRHMQu1AQ&m=xDNvO2p9KWi88plMQdKeBus0tAym2doLwUPdQNfYRG8&s=sEx3IqjhUIdjbiqizdljtA1eTlNHUhuaNKMHipOp6L4&e=
best wishes,
Kay
On Tue, 31 Jul 2018 12:39:01 +0000, [log in to unmask] wrote:
>Dear BB,
>
>I know it has been discussed some time ago, but a google search did not come up with anything useful.
>
>I need a program which analyzes the bound waters and suggests whether a particular water might be a chloride, calcium, sulfate, sodium or something else. Preferably a program that can be run off-line (not a web server), but if there is no choice, we will use a webserver as well.
>
>Thank you for your suggestions!
>Herman
>
>
>
>
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