GC2000 Software Operating Instructions - en
GC2000 Software Operating Instructions - en
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1 Data Acquisition Software
Double-click on the GC 2000 data acquisition software to enter the user login interface. You
need to enter the password "admin" (the default username is "administrator") to access the main
interface of the software. After entering the main interface, a power-on self-check will be performed.
If the self-check fails, it indicates a communication failure. Please check if the network port is
connected properly and if the computer IP address and GC IP address are in the same network
segment. If there is no prompt and the instrument status shows as ready, it indicates that the self-
check has passed, and it will enter the main interface of GC 2000 data acquisition software.
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Running Status: Fault/Alarm, Ready, Not Ready, Preparing Sample, Running, Stopped, Post-
Running;
Instrument Status: Offline, Failure/Alarm, Ready;
Sample Name: The name of the sample for individual sample analysis or sequence injection;
Data File: The result path of individual sample analysis or sequence injection;
Single Run: Click the Single Run button for individual sample analysis;
Running Time: The progress of method running time is shown above, and the total running time
of the method is shown below;
Stop Method: Click the Stop Method button to stop the current single run and sequence run;
Work Log: Click the Work Log button to view the activity log; the log includes the time
(date and time) of the activity, the user, the type, and the content (detailed information). It can be
filtered and queried by time range and log type (system log, running log, and instrument operation).
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Ready State: Click the Ready State button to enter the ready state viewing window. Click
Auto Refresh to view the modules that are not ready. Click Manual Refresh to view the specific
parameter of a module that is not ready
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Note: The detector ignition status is divided into 5 types: not ignited, igniting, ignition
successful, ignition failed, and flame extinguished.
1.1.2 Shortcut button
Sequence: Call Sequence, Edit Sequence, Run Sequence; Click the Edit Sequence button to
quickly enter the sequence list editing interface; The Run Sequence button has the same function as
the Run button in the sequence list.
Methods: Call Method, Edit Method, and Run Method; Click the Edit Method button to quickly
enter the current method editing interface;
Instrument: Inlet, Column Oven, and Detector; Click the Inlet, Column Oven and Detector
buttons for quick access to the method editing windows of each module.
Note: Run Method is the process in which the instrument analyzes the sample according to the
currently activated method.
1.1.3 Monitoring column
The real-time data of various parameters of each module can be viewed in the monitoring
window, including the parameter status of instrument status, method running time, front/rear inlet,
column oven, front/rear detector, and auxiliary EPC and other modules. The monitoring parameters
can be customized by view editing, and the monitoring window displays 8 parameters by default.
1.1.4 Online signal
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Click the dropdown box of Online Signal Display to choose Display Dual Signals/Only Display
Signal I/Only Display Signal II;
Click to enter the signal setting window, and you can set the signal X-axis range and signal
Y-axis range (adaptive growth/limited range) for signal source 1/signal source 2 in order. Click Save
to save the settings;
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Note: After entering the method interface and creating a new method, completing the method
attribute editing, proceed to the method configuration editing interface. First, click the Configuration
to select units, configure the chromatographic column (configure the flow path), check the ready
state, select the module gas type, and configure the detector. Then proceed to the method parameter
edition for each module.
1.2.1 Quick start to create a method
Step 1. Click on the toolbar "Methods" to enter the methods interface. Click "New Method"
button, and then click "OK".
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Step 5. Column
1) Check the box to open the chromatography column management, and then select the columns
to be used and configure them one by one with the corresponding detectors;
2) Pull down to select the gas control mode (constant pressure, gradient pressure, constant flow,
and gradient flow), and set the column pressure or flow in the mode.
Step 6. Oven
1) Click to add temperature ramp rate of the oven program, and add or delete row according to
the requirements;
2) Set the ramp rate, target temperature, and holding time separately;
3) If post-run is required, set the post-run temperature and post-run time. Post-run is mainly
used for baking the chromatographic column after one injection to prevent residue.
Step 9. Other
1) Choose a pressure unit, which can be KPa, Psi, or Bar according to your needs. Generally,
KPa is chosen as default.
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Step 10. Ready Status
1) Check whether modules are ready.
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After modifying the parameters of the current method, it is necessary to save as modified
method. You can click on Save Method as and name it.
Caution: Before single or sequence injection, make sure that the ready state of all modules
of the instrument is checked. Otherwise, the instrument will run the method without reaching the
set value, which will affect the sample analysis results.
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If the autosampler is selected as the sample source in single injection and sequence injection, the
method of the autosampler needs to be edited. There are autosamplers such as AS 5016, AS 5110,
AS 3091 and AS 3016 for option.
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Sample Pumping Times: Before sample injection, set the number of times to pump the sample
from the injection syringe, with options ranging from 0 to 15. Sample pumping of sample injection
syringe is mainly to ensure that there are no bubbles in the sample extracted from the sample
injection syringe during each injection, otherwise it will affect the actual measurement results of the
instrument. Generally, 4 to 5 sample pumping times are sufficient.
Sample Injection Syringe Capacity: Click the drop-down box to select the capacity of the
sample injection syringe, which includes options of 1, 5, 10, 25, 50, 100, 250, and 500µL.
Sample Injection Volume: the volume that can be injected for sample injection;
Internal Standard: Select whether to use internal standard method, and if internal standard
method is used, provide the sample bottle number for storing the internal standard substance (internal
standard bottle number), as well as the volume of internal standard sample extracted (internal
standard volume).
Tips:
Internal standard method is a method that involves selecting a suitable substance (similar to the
analyte) as a reference material for the analyte, adding the reference material quantitatively to the
sample, and carrying out the quantitative analysis based on the ratio of the response values (peak area
or peak height) of the analyte and the reference material on the detector, as well as the amount of
reference material added.
The internal standard substance shall be a pure substance that does not exist in the original
sample. Its properties shall be as similar as possible to the analyte, without undergoing any chemical
reactions with the sample being tested. Additionally, it shall be completely soluble in the sample
being tested. The peak of the internal standard substance shall be as close as possible to the peak of
the analyte or located between the peaks of several analytes, but it must not overlap with any peaks in
the sample.
→Cleaning
Solvent 1 Syringe Washing: Set the number and volume of solvent 1 syringe washing before or
after sample injection. The number of syringe washing can be selected from 0 to 20 times, 20 times
at maximum. The usage amount of syringe washing can be set by yourselves (in %), but the usage
amount shall not exceed the measuring range of the sample injection syringe (100%). A maximum
amount of 70% is available.
Solvent 2 Syringe Washing: Set the number and volume of solvent 2 syringe washing before or
after sample injection. The number of syringe washing and usage is the same as above.
Solvent 3 Cleaning: Set the number and volume of solvent 3 syringe washing before or after
sample injection. The number of syringe washing and usage is the same as above.
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Sample Syringe Washing: Set the number and volume of sample syringe washing before or after
sample injection. The number of syringe washing and usage is the same as above.
→Other Settings
Viscosity Delay Seconds: Some samples have high concentration (or viscosity), so it is
necessary to slowly extract the sample or wait for a period of time to ensure that the sample is fully
extracted. The waiting time is the viscosity delay time, generally set to 2s.
Retention Time Before/After Sample Injection: The retention time before sample injection is for
syringe heating process, ensuring that samples with different boiling points can be fully or
completely vaporized during sample injection. The retention time after sample injection is also set to
ensure that any remaining sample on the sample injection syringe tip is completely vaporized after
sample injection, usually set to 3s.
Sample Injection Syringe Sampling Speed: It is used to set the speed value when the syringe
samples the sample.
Sample Injection Syringe Injection Speed: It is used to set the speed value when the syringe
injects the sample.
(2) Inlet
The types of front and rear inlets include split/splitless inlets and packed column inlets
(optional). Specific parameters of each inlet (such as inlet temperature, pressure) can be set, and the
sample injection mode and the carrier gas saving can be selected.
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The sample injection modes can be divided into four modes: split, splitless, pulse split, and
pulse splitless. Split mode is used for the analysis of components with higher concentrations, and
requires setting the split ratio. The split flow is equal to the column flow multiplied by the split ratio.
Splitless mode is used for trace component analysis, and requires setting the purging flow and
purging time. Pulse split mode is based on split mode, but also requires setting the pulse pressure and
pulse time. It allows for rapid sample injection, primarily to accelerate the sample entering the
chromatographic column and prevent sample decomposition at the inlet. Pulse splitless mode allows
for larger sample injection volume compared to pulse split mode.
Note: The purging flow is enabled by default in splitless mode. Because in the splitless mode,
all the samples injected will enter the chromatographic column, which can easily lead to column
overload and affect the analysis results. The carrier gas purging function is to open the split function
after a certain period of time (usually 1-2 min) after the sample injection in order to prevent all the
samples from entering the chromatographic column.
Pulse injection is an additional function provided for rapid sample injection. When this function
is needed, select pulse split or pulse splitless mode, and set the pressure value to be greater than the
pre-column pressure value used for normal analysis. The duration is usually 0.2-0.5 min. Increase the
pressure at the inlet (set at "Pulse Pressure") at the beginning and then return to normal pressure after
a specified time (set at "Pulse Time"). Pulse injection maintains relatively high pressure at the inlet,
allowing the sample to enter the chromatographic column quickly and reducing the chance of sample
decomposition at the inlet. From the end of sample injection to the end of analysis, the pressure at the
inlet decreases to the pressure corresponding to the flow of the column. It is recommended to use
pulse injection when the sample is thermally unstable.
Carrier Gas Saving is an additional function provided to save unnecessary carrier gas waste for
you. When you need to use this function, check Open to enable it. The set flow value shall be less
than the total flow value used for normal analysis. After a certain period of time (usually 4-5 min)
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after sample injection, this function can be activated, that is, the total flow decreases to the set value
to save carrier gas.
(3) Chromatographic column
Flow, pressure and other specific parameters can be set, as well as the flow modes can be
selected. The flow modes are divided into four modes: Constant Pressure, Gradient Pressure,
Constant Flow, and Gradient Flow. Both Gradient Pressure and Gradient Flow support 3 orders and 4
stages.
Caution: Regardless of any control mode (Constant Pressure, Constant Flow, Programmable
Pressure Increase, or Programmable Flow Increase), the pulse injection function has the highest
priority.
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(4) Column oven
Specific parameters such as column oven equilibration time, maximum column oven
temperature, column oven temperature (initial temperature, heating rate, target temperature, hold
time, etc.), post-run temperature and time can be set. GC 2000 has constant temperature and
programmable heating/cooling operations. The former is mainly used for samples with a narrow
boiling point range, while the latter is used for samples with a wide measuring range of boiling points.
New orders can be added through Add Data button on the window, and selected orders can be
deleted through Delete Data button. The pre-set temperature program is displayed above the set area
in a curve.
Note: Equilibration time refers to the time it takes for the column oven to stabilize at the
specified temperature before operation. It is the time taken for the system to maintain the set
temperature after reaching it from a non-set temperature in the column oven before running the
method. This time is the equilibration time of the column oven.
Maximum Column Oven Temperature refers to the highest set temperature during the constant
temperature or programmable temperature ramp of the column oven. Generally, the set value shall
not exceed the maximum operating temperature of the chromatographic column.
Post-Run refers to quickly heating up to the high temperature zone after running is completed,
maintaining the temperature of the column oven (post-run temperature) for a period of time (post-run
time), and applying it to extend the time for drying out high boiling point impurities in the
chromatographic column. Post-Run does not record signals and is not included in the total run time
of the method.
(5) Detector management
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The types of front and rear detectors include FID, ECD, and FPD. Specific parameters of each
detector (such as detector temperature, nitrogen/hydrogen/air flow, and ignition) can be set.
Auto Ignition can be selected by checking the box, and the ignition will be activated when the
detector temperature and flow reach the ready state. Alternatively, Auto Ignition can be deselected,
and the ignition button can be clicked after the instrument status is ready when Method Activation is
clicked. Both Auto Ignition and Manual Ignition can achieve the ignition of FID/FPD detectors.
(6) Event
Event management mainly focuses on setting the time sequence of valve sample injection,
controlling the sampling and injection time. The version of non-methane total hydrocarbon can be
used to set the auxiliary EPC pressure. Click Add an Event to add a new event, click Delete an Event
to remove the selected event.
(7) Signal management
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Signal management can set specific parameters for signal sources, data acquisition frequency,
etc. The signal source can be selected as none, front detector, or rear detector. The signal acquisition
frequency represents the number of signal points taken per second, and the data acquisition frequency
can be selected from 10, 20, 50, 100, and 200 Hz.
Caution: When the signal rate is too high, the signal noise will also increase accordingly;
conversely, when the signal rate is too low, it will result in distortion of the chromatographic peak
shape.
(8) Configuration
Instrumental analysis methods are based on the actual configuration of the instrument, so before
editing the instrument acquisition method, you need to determine the configuration of the instrument.
The configurations mainly include five parts: Other, Chromatographic Column, Ready State, Module,
and Detector Configuration.
→Other
Three pressure units, kPa, psi, and bar, are available.
→Chromatographic Column
By clicking Add and Delete, you can configure the flow path. By clicking Edit, you can edit the
chromatographic column information or select a chromatographic column, and choose the inlet,
outlet, and heating equipment for the chromatographic column. The inlet has 5 options: Front Inlet,
Rear Inlet, Auxiliary EPC1, Auxiliary EPC2, and Unspecified. The outlet has six options: Front
Detector, Rear Detector, Auxiliary EPC1, Auxiliary EPC2, MS, and Other. The heating equipment
has three options: Column Oven, Valve Box, and Other.
Note: The selection of the inlet and outlet depends on the specific module configuration. For
example, if the module configuration selects the front sample inlet and front detector for use, while
other modules are not used, the inlet will have only 2 options: Front Inlet and Unspecified, and the
outlet will have only 3 options: Front Detector, MS, and Other.
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The chromatographic column information window can be used to edit the parameters (length,
inner diameter, film thickness) and name of the chromatographic column, select the type of
chromatographic column (capillary tube or packed column), add remarks in the "Description" field,
save the chromatographic column to the local library by clicking "Save to Local", or select a
corresponding chromatographic column from the library management interface by clicking "Select
from Catalog", and then click "OK" to complete the edition of the chromatographic column
information.
→Ready State
Various modules can be selected to determine the instrument's readiness status, including the
modules such as Front Inlet, Rear Inlet, Column Oven, Valve Box, Front Detector, Rear Detector,
Auxiliary EPC1, and Auxiliary EPC2. For example, when the column oven is checked, the
instrument will determine whether the temperature of the column oven reaches the currently
activated method set value. The state of other unselected modules will not be evaluated. When the
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column oven temperature reaches the set value, the operating state is displayed as ready; and if it has
not reached the set value, the operating state is displayed as not ready.
Note: The specific modules in the ready state depend on the module configuration selection.
→Modules
The gas type for the inlet, detector, and auxiliary EPC modules can be configured and selected.
The inlet has three options for gas types: nitrogen, hydrogen, and helium.
→Detectors
The front/rear detector can be configured, including setting parameters such as Ignition
Judgment, Ignition Duration, and Ignition Flow.
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FID Detector: It is a hydrogen flame ionization detector that can be used to set parameters, such
as Ignition Judgment, Ignition Duration, Hydrogen Flow during Ignition, Air Flow during Ignition,
and Makeup Flow during Ignition.
FPD Detector: It is a sulfur and phosphorus detector, which can be used to set parameters such
as Ignition Judgment, Ignition Duration, Hydrogen and Air Flow during Ignition, PMT Voltage, and
PMT Ignition Voltage.
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Collection Method: a method used to collect data;
Result Path: the location where the data file is stored after the operation is completed. The
storage path can be customized;
Data Name: The name used when saving the data file.
1.3.1.3 Preprocessing mode
Sample Injection Source: there are 3 options - Autosampler, Other (pre-processing equipment),
and None (manual injection);
Sample Injection Volume: The volume (in microliters) to be injected, which is used to set the sample
injection volume of the sample injection syringe according to actual needs. If an autosampler is used,
it is generally set to 1 µL.
Sample Vial Number: Set the position of the current injected sample on the sample tray of the
autosampler.
1.3.1.4 Sample information
Sample Content: the concentration of the sample before dilution for sample injection;
Dilution Factor: The factor by which a sample is diluted, mainly used for sample processing in
analysis software.
1.3.1.5 Online signal
Consistent with the status/online signal.
1.3.2 Sequence
1.3.2.1 Quick start to create a sequence
A sequence refers to the list of samples to be analyzed and the methods used for each analysis.
Step 1. Click on the toolbar "Sequence" button to enter the sequence interface. Click "New
Sequence" to create a sequence, and then click "OK".
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Step 2. Click "Add row" and add the corresponding number of sequence rows according to the
actual injection requirements.
Step 3. Firstly, set the sample type, injection source, Vial No, sample volume, and injections.
Then, load the corresponding method for sequence operation in the "Load Project" column, and edit
the sample name and data name. The description, level, and sample content do not need to be
modified by default.
Step 4. Select the result path for the data storage and edit the result name.
Step 5. Save, Open and Save as Sequence
1) After all parameter settings are completed and confirmed all settings are correct, click to save
the sequence, name the method, and then click OK to proceed;
2) Click to open the sequence, while can also load the configured method;
3) After modifying the parameters of the current sequence, if you are willing to save the
modified sequence, you can click on "Save as Sequence" and name it.
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Click [Remove a Row] button or right-click and select [Remove a Row] to delete the selected
row that is not needed; if multiple rows are selected, the last selected row will be deleted by default.
Click [Fill Down] button or right-click and select [Fill Down] to fill all the cells below the
selected cell with the same value as the selected cell;
Click the [Incremental Fill] button or right-click to select [Incremental Fill] for this column, and
the values of all cells below the selected cell will increment;
Click the [Move to Left Row] button, the selected column will move one column forwards;
Click the [Move to Right Row] button, the selected column will move one column backwards;
Edit Row: Edit the displayed gauge outfit for the sequence list, check to display.
Right-click - Copy to copy the selected row sequence information;
Right-click - Paste to paste the copied row sequence information to the selected row; if multiple
rows are selected, paste to the last selected row by default;
Right-click - Insert Row: Insert a blank row before the selected row sequence information;
Right-click - Delete: It deletes the selected row or rows of sequence information.
(2) Parameter meaning
The meanings of each parameter in the list of the sequence list editing window are as follows:
Sample Type: Set the sample type you are currently using. You can choose from options such as
Unknown Sample, Sample, Blank, Spiked Sample, and Standard Sample;
Sample Injection Source: there are 3 options - Autosampler, Other (pre-processing equipment),
and None;
Sample Position: Set the position of the current used sample on the sample tray of the
autosampler;
Sample Volume: The volume (in microliters) to be injected, which is used to set the sample
injection volume of the sample injection syringe according to actual needs and is generally set to 1
µL;
Sample Injection Times: Set the number of sample injections in a sequence, ranging from 0 to
999 times.
Loading Project: Methods for data collection;
Sample Name: Set the name of the sample you are currently using, which will be displayed in
the generated report of this analysis. You can customize the name based on the actual sample, such as
Hexadecane, Methyl Parathion;
Data Name: The name used when saving the data file.
Description: Remarks can be made;
Level: For calibration standard samples, it is the standard sample level;
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Sample Content: The concentration of the sample before dilution for sample injection;
Result Path: The path where the data file is saved, which can be chosen;
Result Name: The file name under the data file save path;
Run: After the sequence editing is completed and saved, click Run to submit the sequence. After
the instrument is ready, it will perform data acquisition and analysis in the order of the saved
sequence, and the real-time spectrogram will be displayed in the status/online signal window. After
clicking Run, the button will change to Pause. Click Pause and the instrument will run the current
syringe of sample. Other sequences will wait for running. After clicking Pause, the button will
change to Continue. Click Continue and the instrument will run the remaining sequences according
to the sequence list.
Stop: During sequence running, the sequence will stop running and the real-time spectrogram
will stop collecting data.
1.3.3 View
Click on View/View Edition to enter the View Edition window. The windows are classified by
modules, and you can customize the selection of parameters to be monitored by selecting the
windows and clicking on "Add" or "Remove". You can configure up to 8 parameters. Click "Restore
Factory" to select the column oven temperature as the default selected window. Click "OK" to see the
selected windows in the Status-Monitoring bar.
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1.4 Control
1.4.1 Pressure attenuation test
Pressure attenuation test, also known as pressure maintaining test, is used to determine if the
inlet system has gas leakage. Instruments are subject to internal and external airtightness tests during
the factory testing, so users generally do not need to perform pressure attenuation tests when using
the instruments.
Click [Control/Pressure Attenuation Test] to select the front inlet or the rear inlet for pressure
attenuation testing. Select the inlet position, click "Next", remove the chromatographic column
according to the test steps, and check whether the inlet and column oven temperature are below 50°C.
Click "Next", click "OK", follow the prompt steps "Use the matching nut to block the septum purge
outlet" and "use the chromatographic column plug to block the chromatographic column outlet of
inlet", and use the sealing nut and chromatographic column plug to block the septum purge outlet and
the chromatographic column connection port of inlet respectively. Click "Next" to start the pressure
attenuation test. If the pre-column pressure drop within 10 minutes exceeds 3.4 kPa, it indicates gas
leakage in the inlet system, and troubleshooting is required to locate the problem.
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Click [Control/Module Configuration] to enter the module configuration interface. Click "Read"
to read the usage status of all configuration modules of the current instrument. To change the usage
status of the modules, click "Set" to change the usage or non-usage status of each module.
1.5 Help
1.5.1 About
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Click [Help/About] to view information about the GC 2000 data acquisition software version
and company website.
1.5.2 User manual
Click [Help/User Manual] to view the GC 2000 user manual document.
1.5.3 Instrument information
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Click on [Help/Instrument Information], then click Read to view the instrument version and
MCU software version information.
1.5.4 Alarm inquiry
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Click [Help/Alarm Inquiry] to view current alarm information and historical alarm information.
This information is used to prompt the problems that the instrument has currently or in the past,
facilitating troubleshooting and identifying the causes. In the current alarm window, click "Refresh"
to view the latest alarm information. Historical alarms can be filtered and searched by Alarm Name,
Alarm Level, Alarm Source, Time Type, and Time Range.
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2 Data Analysis
Double-click the GC 2000 analysis software icon to enter the main interface of the GC 2000
analysis software.
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The display or hiding of the sample information and compound information display window on
the current interface can be edited.
2.1.6 Help
(1) About
Click [Help/About] to view information about the GC 2000 analysis software version and
company website.
(2) System Help
Click [Help/System Help] to view the user manual document of GC 2000 analysis software.
(3) Small tools
Click Calculator, Notepad, Screenshot tool, and Molecular Weight Calculator to use their
respective functions.
Create a New Sample List: Click Create a New Sample List button to create a sample list
for batch processing list;
Open Sample List: Click Open Sample List button to open the existing sample list;
Save Sample List: Click Save Sample List to save the current sample list;
Save Sample List As: Click Save Sample List As to save the current sample list as;
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Import Samples from the Folder: Click Import Samples from the Folder button to import all
samples from the folder.
Import Samples: Click Import Samples button to select and import one or more samples into
the sample list;
Delete Sample: Click Delete Samples button to delete the selected individual sample in the
sample list;
Sample Information: Click Sample Information button to view the sample information of
the currently selected sample;
Analysis Batch Processing: Click the Analysis Batch Processing button to automatically
analyze all samples in the batch processing;
Vertical Display: Click Vertical Display button to change the batch processed result list to
vertically display;
Horizontal Display: Click Horizontal Display button change the batch processed result list to
horizontally display;
Previous Sample: Click Previous Sample button to move the selected column up one row,
selecting the previous row sample;
Next Sample: Click Next Sample button to move the selected column down one row,
selecting the next row sample;
All Compounds: Clicking All Compounds button , and the results of all compounds defined
in the processing method will be displayed in the batch processing list;
Previous Compound: Clicking Previous Compound button to display the calculation results
of the previous compound;
Next Compound: Click Next Compound button to display the calculation results of the next
compound;
Generate Report: Click Generate Report button to generate the result report;
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Expected Compound Concentration: Click Expected Compound Concentration to set the
expected concentration for each compound;
Display Statistics: Click Display Statistics to automatically calculate the maximum value,
minimum value, average value, RSD, and other information for each result;
Trend Statistics: Click Trend Statistics button to display the trend of the processing results
of the compound;
Export to Excel: Click Export to Excel button to export the results as an Excel file.
Display Samples Above/Below Outliers: Click Display Samples Above/Below Outliers button
Display Samples Above Outliers: Click Display Samples Above Outliers button to filter out
the results of samples above outliers;
Display Samples Below Outliers: Click Display Samples Below Outliers button filter out
the results of samples below outliers;
Display Samples Without Outliers: Click Display Samples Without Outliers button filter
out the results of samples without outliers;
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Step 1: Open the data analysis software and enter the main interface of the software.
Step 2: Click on the toolbar "Qualitative Analysis" to enter the "Qualitative Analysis" interface.
Step 3: Import the data to be analyzed
1) Click "browse folder" to open all the data files in the folder;
2) Click "browse files" to open a single data file or select multiple data files in the folder.
Step 4: Check the chromatogram that needs to be opened, hold down the right mouse button,
drag the horizontal, vertical coordinates or chromatogram to zoom in the chromatogram.
Step 5: Get the peak area of the target compound
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1) Set appropriate integration parameters, click on Apply to view the information of the target
compound (retention time and peak area);
2) When the integration parameters are set improperly, the chromatogram of the target
compound shows a large integration deviation, which can be reintegrated manually.
Step 6: Click on the peak information list to view the summary information of all integrated
substances.
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Here will display the various parameters of data processing for the method you are currently
calling. Under the qualitative method operation, new methods can be created, and existing methods
that have been edited can be opened, saved, or saved as. Under the qualitative method setting, the
integral parameter, smoothing parameter, and SNR parameter can be set.
Click on any parameter in the qualitative method settings to open a parameter editor window.
Parameters can be modified, applied, and saved.
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Click the toolbar icon of the chromatogram window to restore the full-scale display.
Click the Peak Information List button in the chromatogram result to display the peak
information list. The peak information will be displayed one by one in order of retention time. Right-
clicking anywhere in this window allows you to edit the list information.
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2.3.6 Chromatogram integral
Click Integral Parameter in the method manager or in the chromatogram result to open the
integral parameter editing window. Set the following parameters to filter out unwanted impurity
peaks. After editing the integral parameter, click Apply to complete the automatic integration. The
result after integration will be displayed in the peak information list display window.
If manual integration is required, first click Manual Integration button above the
chromatogram window. Two rectangular black dots will appear in the chromatogram. Drag the
position of the black dots with the left mouse button to draw a box around the chromatographic peak
to be integrated. The chromatographic peak can then be integrated and the parameters of the peak
will be displayed.
Explanation of commonly used integration parameter settings:
Peak Width: time from the starting point to the ending point.
Peak Area: target peak integral area.
Peak Height: the difference in response from the lowest point of integration to the highest point.
Slope at Starting Point: the slope at the starting position for integration.
Slope at Endpoint: the slope at the end of the integration position.
Total Peak Points: monitor the consecutive points of the target peak signal.
Step 2: Click "Import Samples" to add all the data files into the batch.
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2) Click "Add compound from data", select one of the typical data file, hold down the left
mouse button to select the target compound, right-click, and then click "Add compound" to the
compound list. In the list you can edit the corresponding compound name.
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Step 8: Click "Fit Curve", and "Yes", then click "Save Method", save the quantitative method,
and exit the quantitative method editing interface.
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Confirm whether the data to be processed is selected, click "Analyze Batch Processing", and
then click on Statistics Information to view the data processing results (such as RSD).
Click Batch Processing List/Open Batch Processing, or click Open Sample List icon , find
the storage path of the previously saved batch processing list, select the batch processing list file and
click Open to open the saved batch processing list.
Click Batch Processing List/Save Batch Processing, or click Save Sample List icon , select
the storage path, edit the sample batch processing list name and click Save to save the current batch
processing list.
Click Batch Processing List/Save Batch Processing as, or click Save Sample List As icon ,
select the storage path, edit the name of the sample batch processing list and click Save to save the
batch processing list.
Click Sample icon in the import folder, find the folder where the data is located, select it,
and click OK to import all the data files in the folder. Or click on the import sample icon or find
the data file(s) that need to be imported, and import one or more data files.
If there is already a quantitative method, you can right-click the blank space in the theorem
method column in the batch processing, select load method, and then select the quantitative method
file in the pop-up window to load it. For other data files, you can choose to fill downwards with
quantitative methods. If you need to edit the quantitative method, you can choose Edit Method and
enter the quantitative method for editing.
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→ISTD Setting
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If using internal standard method, click ISTD Setting, check Adopt ISTD box on the row where
the target compound is located, and select the corresponding internal standard substance name.
If the external standard method is used for quantification, this step is ignored. Different target
compounds can be quantified using different internal standard substances. Compounds without
selected internal standard substances are automatically treated with the external standard method.
→Concentration Setting
Click concentration setting to change the maximum concentration, dilution mode, concentration
unit, and multiplication factor. If the standard concentrations are 100 ng/mL, 500 ng/mL, 1,000
ng/mL, 5,000 ng/mL, 10,000 ng/mL, and 50,000 ng/mL, then the highest concentration is 50,000 ppb,
the dilution pattern is 1:5:2:5:2:5, and the concentration unit is ng/mL. There are three options for
concentration units: ng/mL, μg/mL, and μg/kg.
3) Outlier setting
By utilizing the range of outlier data, it can quickly and effectively help identify unreasonable
data.
The setting of upper and lower limits for outliers can be used to set retention time, accuracy, and
curve R2. When the corresponding results exceed the set values, they are considered as outliers.
→Retention Time Setting
→Accuracy Setting
→Curve R2 Setting:
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Click to view the calibration curve to access the quantitative curve window.
5) Advanced setting
→Peak Searching Parameters
Click Peak Searching Parameters in the advanced settings to pop up the integral parameter
editing interface. The specific functions can be seen in Clause 4.3.5 Chromatogram integral.
→Smoothing Parameters
Clicking Smoothing Parameters in the advanced settings to pop up the smoothing parameter
editing interface, where you can modify the window size, fitting times, and smoothing times as
needed.
→SNR Parameters
Click SNR Parameters in the advanced settings to pop up the SNR parameter editing interface,
where you can modify the SNR type, noise width, and SNR calculation method as needed.
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Click Save Method in the file or click the icon to save the quantitative method.
Click Exit button in the file or directly close the quantitative method editing interface by
clicking the top right corner.
You can also save the quantitative method as before exiting the quantitative method editor. In
the way, when quantifying other data for the same project, this quantification method can be directly
called upon instead of establishing a new one.
select Load Method, and fill downwards. By clicking on the quantitative batch processing icon,
the data can be analyzed in batches. After the analysis is completed, the interface consists of three
parts: target object data results, target object spectrogram results, and calibration curve.
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The introduction to the function bar and shortcut key functions can be found in Clauses 1.1 and
1.2.
2.5.2 Save batch processing list
Click Save button to save the current batch processing list.
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2.6.2 Report generation
Click Report Generation icon , check the compounds that need to be printed in the pop-up
window, and click OK to generate a preview report.
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