Agilent Technologies Spectrum Mill MS G2721AA, Быстрый старт

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2 Spectrum Mill Workbench Quick Start Guide
New features in Spectrum Mill workbench version A.03.03
The following are key changes to the user interface and functionality:
Support for more
instruments and
data types
Now supported:
• Agilent Q-TOF
• Electron transfer dissociation (ETD) data from Agilent ion trap
• MALDI-TOF-TOF data (via *.mgf file, requires license for Generic Data
Extractor)
• Thermo Fisher Scientific LTQ, LTQ FT, and LTQ Orbitrap, in various
dissociation modes (requires a license for Thermo Data Extractor, as well as
co-resident Thermo Fisher Scientific Xcalibur software that is equivalent to or
newer than the version you used to acquire the data)
Data Extractor
Ability to disable similarity merging, to improve coverage and to detect more
low-level peptides for simple samples (for example, a single protein)
MS/MS Search
Capability to search peptides that have a charge up to +7
New Maximum ambiguous precursor charge , which allows you to choose the
maximum charge state that you want MS/MS Search to consider when the Data
Extractor could not discern the charge state for the peptide
Capability to use protein pI to filter candidate proteins from the database
Improved scoring schemes, including Dynamic peak thresholding , which is a
scoring enhancement that enables identification of more low-abundance and
short-chain peptides
Explicit “mass gap” search that allows you to search for an unexpected or
unknown modification
Ability to automatically create a file of previously validated hits from the MS/MS
Search page, without using the Tool Belt page
MS/MS Autoval-
idation
Addition of +5 charge state to the autovalidation rules
Capability to perform autovalidation across data files in multiple subdirectories,
with all peptides contributing to the protein score
Addition of peptide pI as a validation criterion for samples where the pI is known
(for example, from offgel fractionation)