::: UniChrom

UniChrom file formats

UniChrom CDS supports several chromatography file formats. Most important of them are readable and writeable, the others are only readable, to allow our customers data migration from different file formats.

The UniChrom API allows custom file format support. Samples of file converters are included in UniChrom DDK. The very basic example of GC/MS file export presented in the following tutorial.

UniChrom Workbook (.uwb, .uwz, *.uwx)

Native UniChrom file format. Contains the following sections: Raw Data, Peak Tables, Calibration Tables, Instrument Method, GLP Logs, Properties, Data processing scenarios, Sequence lists, Supplemental information. Actually the file is the Borland Object/ FPC storage (stream of objects).
UWB - UniChrom workbook.
UWZ - UniChrom workbook zipped
UWX - UniChrom workbook expanded (textual representation).

ANDI Chromatography (NetCDF) (.cdf, .nc)

According to:
ASTM E1947-98, ASTM E1948-98 Standard Specification for Analytical Data Interchange Protocol for Chromatographic Data,
ASTM E2077-00, ASTM E2078-00 Standard Specification for Analytical Data Interchange Protocol for Mass Spectrometric Data.

Read (all array types), Write (all array types) supported.
Standard data representation for Inter-Vendor data exchange. Supported by most major CDS Vendors. The format contains the following sections: single experiment data, peaks table.

Both chromatography and chromato-mass-spectrometry data arrays supported.

HP / Agilent ChemStation data file (.ch, .ms, .uv, .aed, *.D)

Read only format. Chromatographic signal from Agilent / HP ChemStation. Each run, each detector - one separate file. Contains raw instrument data and dataset information. The method information and integration parameters are in separate files (which are unsupported).
Versions supported:
2 - GC/MS Data;
Read the TIC and associated mass-spectra.
30 - ADC Data, LC Data
31 - UV Spectrum data;
Pointing UniChrom to *.UV file, loads all the analytical signals (*.ch) and attaches to the first one the UV spectrum data. The "Spectrum" view shows spectra from marker position only when current chromatogram is the first.
31 - AED Data File; JAS AED detector (funny 329 pixels DAD) imported into 3D matrix. CH files as separate layers.
8, 81 - GC Data (A.xx Chemstation)
179 - GC Data (B.03 Chemstation)
180, 181 - GC Data (B.04 Chemstation)
130 - ADC Data, LC Data (B.04 Chemstation)
131 - UV-Spectrum Data (B.04 Chemstation)

New Agilent MS Engine (.MSScan.bin, .MSPeak.bin)

Read only format. provided import of TIC and all the RAW MS scans.

EzChrom 32-bit and clones (*.dat)

Read only format. Provided import of packed and unpacked data sets. Magic 32-bit packed version fully recovered. Full import of chromatogram, metadata, XY signals and diagnostics signals into chromatogram layers. 3D signals imported into z-matrix.
All the clones of 32-bit EzChrom supported.

32-Karat (Beckman brand)
ChromQuest (Thermo brand)
EzChrom itself

Shimadzu GC Solution Data File (*.gcd)

Read only format.
Native Shimadzu GC-Solution data file. UniChrom supports only import of raw experimental data from all detectors. Each detector is imported as separate chromatogram layer.

Shimadzu LC Solution / Labsolutions Data File (*.lcd)

Read only format.
Native Shimadzu LC-Solution / Labsolutiondata file. UniChrom supports only import of raw experimental data from all detectors. Each detector is imported as separate chromatogram layer.
Preliminary support. Please report any problems with import.

Shimadzu GCMS Solution Data File (*.qgd)

Read only format.
Native Shimadzu GCMS-Solution data file. UniChrom supports only import of raw total ion current data and all mass-spectra.

Shimadzu UV/Vis spectrophotometer File (*.spc)

UniChrom supports only import of raw spectra data from multi-experiment files. Each experiment data - one layer in UniChrom.

Shimadzu CLASS-VP (EzChrom) HPLC files (.r01; .spc)

Read-only format of old EzChrom HPLC files. Now UniChrom reads multi wavelength chromatograms from CLASS LC-10 DAD detector.

(*.r01....*.r??) files - are multi wavelength chromatograms. (*.spc) files - spectrum files.

Thermo-Finnigan DSQ mass engine files (*.raw)

Reading of chromato-mass-spectra and total ion current.

Perkin-Elmer Nelson Totalchrom chromatography file (*.raw)

Reading of chromatography raw data.

EnviroChrom (*.chr)

Read Only format. Data files of instrument control system for microcolumn HPLC system MiliChrom-A02, also known as E-Chrom, M-Chrom or IntelliChrom.
Import of analytical signals of all wavelengths is taken (8).

Chromatec-Analytic 2.x project (*.anp)

Project is the Firebird database. Supported reading raw data, peak tables and metadata imported from all injections inside the project.

Chromatec-Analytic 2.x XML (.anz,.anx,*.xml )

Supported reading of metadata, signals, peaks table and component table.

Chromatec-Analytic 3.0 (*.chrx)

Supported reading of metadata, signals, peaks table.

Chromatec-Analytic 3.1 (*.chrx)

Supported reading of metadata, signals, peaks table. XML-schema is different from 3.0.

Chromatec-MSD (*.msdx)

Supported reading of metadata, mass scans, TIC.

Meta-Chrom NetChrom 2.x (*.chr)

Supported the import of chromatographic signals (all the channels) and supplementary information.

Bruker-Optics OPUS spectra (.0 - .999)

Spectral data files of OPUS data system. Import of all signals in file is taken.

Varian CARY UV-VIS-NIR spectra (*.bs?)

Spectral data of Varian CARY spectrometer class. All the signals of data package imported.

Multichrom data file (*.chw)

Chromatographic files of Multichrom (sometimes branded Chrom&Spec) datasystem. Supported reading multisignal chromatograms, peak tables, component tables and supplemental info (passport and logs). Format is implemented in Multichrom version 1.x ... 3.x

Beckman P/ACE MDQ (EzChrom Class-VP 1.x) (.dat;.*;e????)

File format of old EzChrom 1.x clone licensed by Beckman-Coulter for capillary electrophoresis system (P/ACE MDQ). File contains 4 signals (chromatograms of specified PDA wavelengths and CE cell current). Also file can contain PDA (DAD) matrix in 190-300 nm range. Supported reading all 4 kinetic signals, DAD matrix and dataset timestamp information.

DataApex Clarity (*.prm)

File format of Clarity data system. Supported reading of all signals (multi-detector measurement), GLP log and component tables.

Diamir / Varian Galaxie / Bruker | Scion Instruments Compass CDS (*.data)

File format of Varian Galaxie (former Diamir) data system. Supported reading of raw data, peak data and metadata.

LECO Pegassus III (GC TOF-MS) (*.peg)

File format of LECO Pegassus GC-MS system. Supported reading of all the scans and splitting it into SIM chromatograms.

Spectral Evolution SR-4500 raw data file (*.raw)

File format of DARWin spectral program. Supported reading both background and signal data for all the sensors.
Mostly usable in UniChrom n-VisiON

Solar JSC (solar.by) SM-2203 (.grs, .gr)

File format of SМ-2303 fluorimeter datasystem. Supported reading of signals and metadata.
Mostly usable in UniChrom n-VisiON

Agilent OpenLab container (*.dx)

File format of Agilent Openlab Chemstation edition. Actually is a ZIP-file with set of signals mentioned in HP/Agilent signals with batch of diagnostic signals. Default behaviour is not to import diagnostic signals, but may be overriden specifying in UniChrom commandline the --ucconv.diag.traces=[1|true] e.g.:
./uc --ucconv.diag.traces=1

Agilent Chromatographic Data (*.cd)

File format of MassHunter and OpenLab. Actually is a binding of two files with .cd and .cg extensions

CD - Chromatographic data (meta-information on signals)
CG - Signal data

If you have file of format among mentioned above, but the import result is wrong or questionable - do not hesitate to ask us using the mail address unichrom in the domain unichrom.com. Do not forget to attach data file to the mail.