[sharp-discuss] Correlating batch # in ouput file to wavelength

[Clemens Vonrhein]

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Dear Akanksha,

SHARP uses a hierarchical structure, of the type

  C-1          <-- COMPOUND
    X-1          <-- CRYSTAL
      W-1          <-- WAVELENGTH
        B-1          <-- BATCH

So for a normal 3 wavelength MAD it should look like this

  C-1
    X-1
      W-1
        B-1
      W-2
        B-1
      W-3
        B-1

The batch numbering in the statistics should then be numbered in the
order the various batches appear in the hierarchy. In your example

  C-1
    X-1
      W-1    <-- PEAK
        B-1
      W-2    <-- REMOTE
        B-1
      W-3    <-- INFLECTION
        B-1

So: batch-1 =3D=3D PEAK, batch-2 =3D=3D REMOTE, batch-3 =3D=3D INFLECTION.

*.mtv files: can be viewed with PLOTMTV (binary is in the
helpers_client.*.tar.gz file. The installation extracts the binary
into $BDG_home/helpers/*/plotmtv.

Cheers

Clemens

On Thu, Jan 08, 2004 at 02:08:41PM -0500, gte977x@mail.gatech.edu wrote:
> Dear SHARPusers:
>=20
> The answer to this question might be too simple but I couldn't find it, s=
o here
> it is:
>=20
> How can I correlate the batch number in the SHARP output file (list.html =
or the
> phasing stats.) to the wavelength of the data? I input the scaled MAD dat=
a set
> (3 wav., scaled in scaleit) with 30 Se sites found from SOLVE into SHARP =
version
> 3.0.15. In scaelit, I used remote as FP and other 2 FPHs as peak and infl=
ection.=20
>=20
> In SHARP, I used peak as the reference data, remote =3D wav2/batch01 and
> inflection =3D wav3/batch01. The output shows Rcullis, PP and other stats
> separated in batch1, batch2, batch3. I looked through a lot of files but
> couldn't correlate to batch # to wavlength. I mean which stats belong to =
peak,
> remote and inflection.
>=20
> Does anybody has any suggestion for viewing *.mtv plots?
>=20
> Any suggestions will be greatly appreciated.
>=20
> Thanks in advance,
> Akanksha Nagpal
> Ph.D Candidate
> School of CHemistry and Biochemistry
> Georgia Institute of Technology
> Atlanta, GA-30332
>=20
> =20
>=20
>=20
>=20
> _______________________________________________
> sharp-discuss mailing list
> sharp-discuss@globalphasing.com
> http://www.globalphasing.com/mailman/listinfo/sharp-discuss

--=20

***************************************************************
* Clemens Vonrhein, Ph.D.     vonrhein AT GlobalPhasing DOT com
*
*  Global Phasing Ltd.
*  Sheraton House, Castle Park=20
*  Cambridge CB3 0AX, UK
*--------------------------------------------------------------
* BUSTER Development Group      (http://www.globalphasing.com)
***************************************************************

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