【讨论】高手请进，请教agilent的chemstation 积分器和RTE 积分器之间的区别？

在RTE积分器中，detector:
date point sampling
date filtering
start threshold
stop threshold
分别是什么意思啊。谢谢

我也想知道，两个积分器中的各个含义是什么

普通的积分，是按照时间的一个积分，具体什么样子就不知道了，建议翻书。

RTE积分是点对点的一个积分，跟时间无关，是按点的个数控制积分参数的。

应助达人

date point sampling： 采样点数
date filtering： 用来改善色谱噪音
start threshold：在峰开始时设置斜率灵敏度。默认值为0.2，很少改变。
stop threshold：用于改善拖尾峰的积分情况，阈值越大，拖尾峰的面积越大

我一般用化学积分器，他们有10倍的关系，我就知道这些

化学工作站积分好像主要通过保留时间，设置峰面阈值一些参数积分，
RTE主要是设置积分拐点吧，即二次导数的值
一般用化学工作站积分比较多吧，但对组分较多，峰形不是非常好的我还是比较相信手动积分，机器怎么都没有人聪明

非常感谢。。

非常感谢

应助达人

for your reference as the following. sorry just in English.
One factor in creating an accurate calibration and sample quantitation is to be sure
that your peaks are integrated correctly. There are two integrators to choose from
when using your MS ChemStation software. They are:
1) the RTE Integrator or
2) the ChemStation Integrator.
Both have their advantages and limitations. The RTE Integrator is a simple and
fast integrator. The ChemStation Integrator can handle complex chromatograms,
but is slower than the RTE Integrator. The RTE Integrator is recommended for
routine quantitative work and the ChemStation Integrator is recommended for
routine qualitative work.
Data point sampling selects which data points are used in calculating slope
sensitivity. With the default selection of 1 every data point is used. Select 2 for
every other point, 3 for every third, etc. Range is from 1 to 9. Negative values are
not allowed. Sampling should normally be set at 1 for scanned capillary column
data. For SIM data or for very noisy data (anytime the integrator shows a
tendency to “split peaks”), this parameter is frequently 2 or 3. This parameter was
called bunch in earlier versions of RTEINT.
Qualitative Data Analysis
RTE Integrator
8
The smoothing checkbox turns on an additional filter that acts on the data when
the first derivative is being taken to determine the start/stop points. Default = not
selected. You can select Smoothing only when you also select 5-point digital
filtering. Use detector smoothing to improve results with noisy data and anytime
the integrator shows a tendency to “split peaks”. A split peak is a single
chromatographic event or peak that is reported as two peaks because of a minor
perturbation. This is the same filter enabled in previous versions of RTEINT
when negative values were entered for bunch.
Detection filtering is used to improve detection of noisy chromatograms. It can
improve results with SIM data as well as with broader peaks. This parameter lets
you select the number of data points to be included in a moving weighted average.
Proper parameter selection depends on how narrow or broad typical peaks are and
should be done in conjunction with data point sampling.
Start threshold is rarely changed. The default setting of 0.2 is optimal for most
chromatograms. A peak is detected or started when the first derivative calculation
exceeds the starting threshold, which is in part determined by the parameter
setting.
The stop threshold determines when a peak ends. This threshold can be adjusted
to vary the amount of a tailing peak that is included in the integrated peak area.
Higher values increase the amount of a tailing peak that is integrated. Noise in the
data can cause integration to terminate prematurely. In such cases, try raising the
value to 0.1 or 0.2 to extend the end of the peak.
Baseline reset (# points) > is the number of scans that must separate two adjacent
chromatographic peaks in order for the coordinates of start and end points of the
peaks to be used to define the baseline. If two or more peaks are separated by less
than this value, the baseline is drawn below the abundance at the start or stop of
the peak.
If leading or trailing edge < is used in conjunction with Baseline Preference to
determine whether a drop to baseline or a tangent from start to stop occurs at a
peak. The parameter is a measure of the difference in amplitude of a peak’s start /
stop points expressed as a percentage of total peak height. Note that in RTE this
parameter is also known as valley.
Baseline Preference is used in conjunction with If leading or trailing edge to cause
a baseline drop or a tangent from start to stop of a peak. In the default case of If
leading or trailing edge < 100%, then Baseline drop else tangent, baseline drop is
used for all peaks because all peaks satisfy the condition. In the same way, if you
choose Tangent else baseline drop, all peaks would have a tangent from start to
stop. If you enter a value other than 100%, then both baseline drops and tangents
are possible in a given chromatogram. For example: If leading or trailing edge <
20%, then Tangent else baseline drop, would cause peaks with less than 20%
difference in abundance from start to stop to have the baseline drawn from start to
stop. Other peaks would have a drop from start or stop to a horizontal baseline.
Qualitative Data Analysis
RTE Integrator
9
Minimum peak area is the area threshold. For target compound analysis, Area
counts is normally the better selection. % of largest peak should not be used for
target compound detection because the sensitivity of the detection phase detects
many noise peaks if the target compound is not present. In other words, if the
target compound is not present, the system is forced to integrate noise. These
noise peaks could appear as false positives in the quantitation report. Area counts
affects the peak detector. In this case, the peak detector examines the raw area of
each integrated peak to determine if the peak should be retained and submitted to
the baseline allocation algorithm.
With peak location you can select whether retention time is reported at the top of
a peak or to the centroid (center of the effective area). The default location is top.
This option is useful for broad noisy peaks.
Maximum number of peaks to report. Range is 1 to 250. The peaks reported are
those with the largest areas.
Use the Save button to save the current RTE integration parameters to a *.P file
associated with a particular method.
Use the Load to load parameters from the macro file (*.P) that has RTEintegration parameters for the method.