MSM_AdminUserManual_..

MSM_AdminUserManual_..
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
Page 1 of 28
Gubbs Mass Spec Metrics
(MSM)
MSM Polling Application 1.x and earlier
MSM Viewer 1.x and earlier
Supported Platforms
Sciex® Analyst™ 1.3.1 - 1.5.x
Administration and User Manual
Gubbs, Inc.
265 Blue Spruce Circle
Alpharetta, GA 30005
P: 770-573-0169
F: 508-453-1338
[email protected]
www.gubbsinc.com
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
Page 2 of 28
Table of Contents
Section
Page Number
1
OVERVIEW .................................................................................................................................................................4
2
MSM USAGE NOTES .................................................................................................................................................5
2.1
2.2
2.3
2.4
3
EDIT/SAVE MODES ..................................................................................................................................................... 5
AB ANALYST DATA .................................................................................................................................................... 5
THERMO DATA............................................................................................................................................................ 9
WATERS DATA ............................................................................................................................................................ 9
MSM PROCEDURE ..................................................................................................................................................10
3.1
3.2
3.3
3.4
3.5
CONFIGURE POLLING LOCATIONS ............................................................................................................................. 10
BEGIN POLLING......................................................................................................................................................... 10
CONFIGURE CONFIGURATION – LOCATION LABELS .................................................................................................. 12
CONFIGURE LOCATIONS ............................................................................................................................................ 12
ASSIGN LOCATIONS TO NEWLY-RECORDED MASS SPEC INSTRUMENTS ...................................................................... 12
4
MSM SERVICE..........................................................................................................................................................13
5
MSM FEATURES – CONFIGURATION................................................................................................................14
5.1
5.2
5.3
6
CONFIGURATION – GLOBAL ...................................................................................................................................... 14
CONFIGURATION – LOCATION LABELS ..................................................................................................................... 16
CONFIGURATION – POLLING LOCATIONS .................................................................................................................. 17
CONFIGURATION – LOCATION..........................................................................................................................18
6.1
6.2
6.3
7
ADD LOCATION ......................................................................................................................................................... 19
DELETE LOCATION.................................................................................................................................................... 19
CONFIGURE THE LOCATION ....................................................................................................................................... 19
MASS SPEC INSTRUMENTS..................................................................................................................................20
7.1
7.2
7.3
8
EDITABLE COLUMNS ................................................................................................................................................. 20
INSTRUMENT ACTIVATION/DEACTIVATION .............................................................................................................. 20
ASSIGNING LOCATIONS TO MASS SPEC INSTRUMENTS .............................................................................................. 21
DATA FILES ..............................................................................................................................................................22
8.1
FILTER FOR MS ......................................................................................................................................................... 22
9
MASS SPEC ENTRIES .............................................................................................................................................24
10
VIEW LOGS ...............................................................................................................................................................25
11
REQUIREMENTS .....................................................................................................................................................26
12
MONITOR POLLING STATUS ..............................................................................................................................27
12.1
12.2
12.3
13
CHECK STATUS ......................................................................................................................................................... 27
KILL MSM POLLING ................................................................................................................................................. 28
KILL ANALYSTSERVICE ............................................................................................................................................ 28
MSM VIEWER...........................................................................................................................................................28
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
Page 3 of 28
Table of Contents
Section
Page Number
Table of Figures
Figure
FIGURE 1
FIGURE 2
FIGURE 3
FIGURE 4
FIGURE 5
FIGURE 6
FIGURE 7
FIGURE 8
FIGURE 9
FIGURE 10
FIGURE 11
FIGURE 12
FIGURE 13
FIGURE 14
FIGURE 15
FIGURE 16
FIGURE 17
FIGURE 18
FIGURE 19
FIGURE 20
FIGURE 21
FIGURE 22
Page Number
EXAMPLE OF RAW FILE DATA RETRIEVAL ERROR MESSAGE BOX ...........................................................................6
POLLING CHOICE WINDOW .................................................................................................................................10
POLLING HAS NOT FINISHED................................................................................................................................11
POLLING HAS FINISHED .......................................................................................................................................11
QUIT POLLING BUTTON .......................................................................................................................................12
MSM MINIMIZE TO SYSTEM TRAY MENU ITEM ..................................................................................................13
MSM MINIMIZED TO SYSTEM TRAY ....................................................................................................................13
CONFIGURATION WINDOW – GLOBAL WINDOW .................................................................................................14
POLLING CHOICE WINDOW .................................................................................................................................15
CONFIGURATION WINDOW – LOCATION LABELS................................................................................................16
POLLING LOCATION – ADD ROW – BROWSE FOR FOLDER DIALOG BOX ..............................................................17
CONFIGURATION – LOCATION WINDOW .............................................................................................................18
ADD LOCATION DIALOG BOX ..............................................................................................................................19
CONFIGURATION OF A LOCATION ........................................................................................................................19
MASS SPEC INSTRUMENTS WINDOW ..................................................................................................................20
APPLY LOCATION ...............................................................................................................................................21
DATA FILES WINDOW .........................................................................................................................................22
MS # 999999 ......................................................................................................................................................23
MASS SPEC ENTRIES WINDOW ...........................................................................................................................24
VIEW LOGS WINDOW .........................................................................................................................................25
REQUIREMENTS WINDOW ...................................................................................................................................26
MONITOR POLLING STATUS WINDOW ................................................................................................................27
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
1
Page 4 of 28
Overview
MSM uses the native data acquisition software .dll’s supplied by the vendor (e.g. AB, Thermo, Waters)
whose use is defined the respective vendor software development kit (SDK) documentation. At this
moment, AB is the only vendor supported.
Data is stored in a database. The currently supported databases are Microsoft® (MS) Access, MS SQL
Server, and Oracle®. Data retrieved and stored by MSM is then viewed using a separate application from
Gubbs Inc called MSM Viewer. MSM Viewer is a MS Visual Studio Tools for Office (VSTO) Excel
application.
MSM uses the .dll’s to open raw data files and extract, at a minimum:
ƒ
ƒ
Acquisition date
Mass spec instrument serial number
The intent of the MSM/MSM Viewer suite is to allow managers to plot actual mass spec usage in order to
make such decisions as instrument usage, instrument allocation, instrument decommissioning, and new
instrument purchase.
Additional acquisition event-specific and sample-specific information may be extracted from the raw data
and is somewhat vendor specific. The additional data is stored as a large string within the database. For
example, the following is an example of additional acquisition event-specific information retrieved from
AB data:
Pump:Agilent 1100 G1312A:0:binary pump;Firmware Version:A.04.11;Serial Number:DE23912037 ;Mass
Spectrometer:QTrap:0:Qtrap; Config Table Ver: 03; Firmware Ver: M401400 B4T0301 M3L1408 B3T0300;
Component Name: QTrap Linear Ion Trap LC/MS/MS Mass Spectrometer; Component ID: QTrap; Manufacturer:
AB Sciex Instruments; Model: 027170 - A; S/N: M0630208
Valve:Valco 2-Position:0:; ver ; S/N I-PD-APX88RD. ;Integrated System: Shimadzu Controller: CBM20A; Serial#:
L20234350424; ROM Version: 1.06; Pressure Units: psi;Pump: Shimadzu LC20AD; Serial#: L20104450801;
ROM Version: 1.07;Pump: Shimadzu LC20AD; Serial#: L20104450798; ROM Version: 1.07;AutoSampler:
Shimadzu SIL20AC; Serial#: L20174450168; ROM Version: 1.04;Column Oven: Shimadzu CTO20A; Serial#:
L20204450179; ROM Version: 1.06; ;Injection Volume used: 10.00 µl;Mass Spectrometer:API 3000:0:;Config
Table Version: 00; Firmware Version: M401402 B4T0301 M3L1415 B3T0300;Component Name: Triple
Quadrupole LC/MS/MS Mass Spectrometer;Component ID: API 3000;Manufacturer: AB Sciex Instruments;Model:
1009665A; Serial Number: D12650311
The following is an example of additional sample-specific information retrieved from AB data:
Start Sample;Start Periods,NumberofPeriods: 1;Start Period 1;Start Experiments,NumberofExperiments: 1;Start
Experiment 1;Scan Type:4:MRM;Polarity:0:Positive;Scan Mode:-1:Zero Width Scan;Resolution
Q1:1:Unit;Resolution Q3:0:Low;MCA:0:No;Step Size:0:0.0000 amu;End Experiment 1;End Period 1;End Sample
Start Sample;Start Periods,NumberofPeriods: 1;Start Period 1;Start Experiments,NumberofExperiments: 1;Start
Experiment 1;Scan Type:4:MRM;Polarity:0:Positive;Scan Mode:-1:Zero Width Scan;Resolution
Q1:1:Unit;Resolution Q3:0:Low;MCA:0:No;Step Size:0:0.0000 amu;End Experiment 1;End Period 1;End Sample
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
Page 5 of 28
The MSM Viewer as published by Gubbs displays only mass spec instrument usage. Customers may
contract with Gubbs Inc to write custom applications to mine the additional information retrieved and
stored by MSM.
2
MSM Usage Notes
2.1
Edit/Save Modes
If users wish to make any changes to parameters within MSM, he/she must first place MSM in
Edit mode by clicking the Edit button. If the user wishes to cancel all changes made during an
edit action, then he/she may click the Cancel button. Once all editing actions are complete, the
changes must be saved by clicking the Save button.
2.2
AB Analyst Data
The MSM polling event is limited to 100 total non-polled raw data files (see discussion below).
The very first time MSM is run on a system, it is highly probable that the total number of nonpolled files could reach into the thousands. Therefore it is recommended that the procedure
defined in Section 3.2.1.1 be followed for the initial polling event of data.
MSM relies on the robustness of the AB Analyst .dll’s in order to reliably retrieve the needed
information for database storage. The act of opening the raw data file, retrieving information,
then closing the raw data file is defined by MSM as “polling”. The polling even involves rapid
open and closing of raw data files. It seems some of the objects within the AB Analyst .dll’s are
not designed to work reliably with such rapid opening/closing events, resulting in occasional nontrappable errors (most commonly buffer overrun errors) that interrupt the polling event.
The following are notes about MSM features in place to resolve the robustness issues of the AB
Analyst.dll’s:
ƒ
ƒ
It has been found that the probability of error increases when the number of raw data files
polled in a single polling event is greater than 100. Therefore, polling events are limited
to 100 raw data files.
Errors can occur during raw file data retrieval, resulting in the interruption of the polling
event and a message box displayed to the user (see Figure 1). Users have two options to
proceed:
o
o
The user may click the OK button on the message box which will kill the
interrupted session. The user then can re-start the polling event by clicking the
Begin Polling button.
If the polling event is part of a Scheduled Event, then the user may wait until the
next scheduled polling event starts, at which time MSM will automatically kill
the interrupted session to start the new scheduled polling event.
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
Figure 1
Page 6 of 28
Example of raw file data retrieval error message box
2.2.1
AB Data Retrieval Process
The following is a description of the process of retrieving information from AB raw data
files:
2.2.1.1
FindFile Process
MSM sets up a For-Next loop to evaluate the directories defined in the
Polling Location section of the Configuration window. This process is called
the FindFile process. The information determined in the FindFile process is
placed in memory to be written to the database at the end of the Polling
Event.
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
Page 7 of 28
Looping one directory at a time, MSM generates an array of files consisting
of all electronic files containing the file extension ‘.wiff’ located in the
polling location (Note: Because of reliability issues with the AB .dll’s, the
number of files that can be inventoried at once is limited to 100.)
MSM sets up a For-Next loop to evaluate each file in the array of files:
ƒ
ƒ
The file is inventoried if it meets the following criteria:
o The file has not been inventoried previously (MSM checks
for the file and path information recorded in the database
table TBLDATAFILE).
o The file creation date is greater than the date defined in the
Cut-Off Date parameter of the Configuration window.
The following file-specific information is gathered, generated, and
recorded in TBLDATAFILE:
o The size of the file in Mb
o The creation date of the file
o The date on which this database record was created
o The sample number from which file creation date was
retrieved
o The number of samples contained in the .wiff file
o File-specific Additional Information described in Section 1.
Mass spec instrument serial numbers are then retrieved from the raw data
files. Because of reliability issues of the AB .dll’s, MSM retrieves and stores
the mass spec instrument serial number from the raw data files in a separate
For-Next loop.
2.2.1.2
RetrieveData Process
After the FindFile process is complete, MSM continues to the RetrieveData
process in which the newly-polled raw files are inventoried for the following
information:
ƒ
ƒ
ƒ
ƒ
ƒ
ƒ
The acquisition date of each sample in the .wiff file
The sample index of the sample within the sequence
The path of the raw data file
The filename of the raw data file
Actual duration time of the sample
Sample-specific Additional Information as described in Section 1.
Actual duration time is determined in such a way that autosampler
preparation times between sample injections are accounted for so that total
mass spec instrument time is recorded. The logic for determining actual
duration is dependent on the Configuration Global parameter ‘Use logic that
allows for ‘one injection/.wiff’ acquisition’ (herein referred to as Parameter
A). The default setting for this parameter is ‘No’. The following is a
description of how the logic is defined for this parameter:
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
2.2.1.2.1
Page 8 of 28
Parameter A = No
In this logic, each .wiff file is considered a separate sequence
that can include one or more injections (samples).
intR = number of samples in sequence
cAD = acquisition date/time of current sample
AD(1) = acquisition date/time
AD(2) = acquisition date/time
nDur = duration of current sample as defined in data
acquisition method (.DAM) file in minutes
nADur = duration of current sample as defined by AD – pAD
in minutes
AInfo = Sample-specific additional information
For Count1 = 1 to intR
If Count1 = 1 then
AD(1) = nDur
Else
AD(2) = cAD
Endif
If Count1 = 1 then
nADur = nDur
Else
nADur = AD(2) – AD(1)
AD(1) = AD(2)
Endif
AInfo = GetAdditionalInfo function
Save data to memory
Next
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
2.2.1.2.2
Page 9 of 28
Parameter A = Yes
In this logic, the .wiff file is evaluated to determine the
number of samples in the .wiff file. If the number of samples
is equal to 1, it is assumed that it is a single injection and that
all the .wiff files within a single directory are from the same
sequence.
intR = number of .wiff files in a directory
cAD = acquisition date/time of the one sample within the .wiff
file
AD(1) = acquisition date/time
AD(2) = acquisition date/time
nDur = duration of current sample as defined in data
acquisition method (.DAM) file in minutes
nADur = duration of current sample as defined by AD – pAD
in minutes
AInfo = Sample-specific additional information
For Count1 = 1 to intR
If Count1 = 1 then
AD(1) = cAD
Else
AD(2) = cAD
Endif
If Count1 = 1 then
nADur = nDur
Else
nADur = AD(2) – AD(1)
AD(1) = AD(2)
Endif
AInfo = GetAdditionalInfo function
Save data to memory
Next
2.2.1.3
Database Writing Process
After the Retrieve Data Process has been completed, then all information
stored in memory is written to the database. If a new mass spec instrument
serial number is detected, a new database table is created for it.
2.3
Thermo Data
Not yet available
2.4
Waters Data
Not yet available
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
3
Page 10 of 28
MSM Procedure
The following is general outline of events for executing MSM, though the user is not restricted to this
order of events.
3.1
Configure Polling Locations
The user must configure at least one polling location (see Section 5.3).
3.2
Begin Polling
A polling event is executed by clicking the Begin Polling button. The user will be prompted to
choose a polling event type:
Figure 2
Polling Choice window
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
3.2.1
Page 11 of 28
First-time polling
3.2.1.1
AB data
The MSM polling event is limited to 100 total non-polled raw data files. The
very first time MSM is run on a system, it is highly probable that the total
number of non-polled files could reach into the thousands. Therefore it is
recommended that the following procedure be used when performing the
initial polling event on AB data:
ƒ
ƒ
ƒ
ƒ
ƒ
Figure 3
Configure the ‘Automated Polling Frequency (hours)’ (see
Section 5.1.2) parameter to 0.5
Click Begin Polling
Choose ‘Scheduled event’ when prompted
Allow MSM to proceed
Check the status of polling completion by inspecting the logs (see
Section 10)
o If the 6th item reads, “Polling limit of 100 files…”, then the
Polling Location has not been completely polled.
Polling has not finished
o
Figure 4
If the 6th item reads, “Polling action completely
inventoried…”, then the Polling Location has been
completely polled and the Scheduled Polling Event may be
canceled by clicking the ‘Quit Polling’ button.
Polling has finished
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
3.2.2
Page 12 of 28
One-time event
After a One-time polling event is finished, MSM stops and waits for further user input.
3.2.3
Scheduled event
If the user chooses this option, MSM will repeat the polling process at a frequency
described by ‘Automated Polling Frequency’ Configuration parameter (see
Section 5.1.2).
When the polling event is active, the ‘Begin Polling’ button changes to a ‘Quit Polling’
button.
Figure 5
Quit Polling button
Clicking this button will cancel the scheduling process and will also kill any active
polling event.
Once a polling event has finished, continue with Polling Location configuration
3.3
Configure Configuration – Location Labels
Configure the basic tree structure of the Location labels (see Section 5.2).
3.4
Configure Locations
Configure the different locations of the mass spec instruments (see Section 6).
3.5
Assign Locations to newly-recorded mass spec instruments
After the polling event, unique mass spec instruments are shown in the Mass Spec Entries
window. Assign locations to these mass spec instruments
The data is now ready to be viewed by the MSM Viewer.
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
4
Page 13 of 28
MSM Service
MSM may be run as a service in which MSM is minimized to an icon in the system tray by choosing from
the menu Menu – Minimize to System Tray.
Figure 6
MSM Minimize to System Tray menu item
Figure 7
MSM minimized to system tray
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
5
MSM Features – Configuration
5.1
Configuration – Global
The Global Configuration window is used to configure the following parameters:
Figure 8
Configuration Window – Global Window
5.1.1
Cut-off Date
MSM will ignore and not record any file that is older than the Cut-off Date
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
Page 14 of 28
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
5.1.2
Page 15 of 28
Automated Polling Frequency (hours)
When the Begin Polling button is clicked, the user has a choice to perform a One-time
event or a Scheduled event. If a Schedule event is performed, a Polling Event will be
performed at the frequency defined in the Automated Polling Frequency parameter.
Figure 9
5.1.3
Polling Choice window
Use logic that allows for ‘one injection/.wiff’ acquisition
For AB data only. AB Analyst allows users to acquire data in two different manners:
ƒ
ƒ
Acquire data from all injections defined in a sequence into a single .wiff file
Acquire data from each injection defined in a sequence into individual .wiff files
See Sections 2.2.1.2.1 and 2.2.1.2.2 for a description of the effect of this parameter.
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
5.2
Page 16 of 28
Configuration – Location Labels
Figure 10
Configuration Window – Location Labels
Users are allowed to assign locations to the individual instruments that are inventoried. The
definitions for these locations are configured in this window.
Labels are defined in a hierarchical tree fashion (see Figure 10 for an example). The user must
give some thought to how this hierarchical tree should be defined.
See Section 6 for assigning locations to mass spec instruments.
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
5.3
Page 17 of 28
Configuration – Polling Locations
The directory or directories defining the location of the raw data files to be polled are configured
here. Users add polling locations by clicking the Add Row button. A dialog box is displayed that
allows the user to browse to a local, mapped, or network directory:
Figure 11
Polling Location – Add Row – Browse for Folder dialog box
To modify an existing Polling Location, select the row and click the Browse button.
The Directory column in the Polling Location table by default is read-only. If the user wishes to
manually modify or enter the contents of Directory column, the user may check the ‘Allow
manual path entry’ checkbox; however, this is not recommended as the probability of manual
path entry can be hig.
Users may define a label in the Label Column for each polling location.
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
6
Configuration – Location
Figure 12
Configuration – Location Window
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
Page 18 of 28
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
Page 19 of 28
Users are allowed to assign locations to the individual instruments that are inventoried. The definitions of
the locations are configured in this window (the contents of Item Column are configured in the
Configuration – Location Labels window – see Section 5.2).
6.1
Add Location
Users may add a Location by clicking the Add Location button, entering a Location Name, then
clicking the OK button.
Figure 13
6.2
Add Location dialog box
Delete Location
Users may delete a location by selecting the row in the Location table and clicking the Delete
button.
6.3
Configure the location
Once a location has been added, the user must configure the
Figure 14
Configuration of a location
Note: The configuration of a location may be edited at any time.
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
7
Page 20 of 28
Mass Spec Instruments
Figure 15
Mass Spec Instruments Window
The different mass spec instruments retrieved from the polled raw data files are recorded in a database
table called TBLSN. In the MSM Viewer application, users are able to filter data by mass spec instrument
and mass spec instrument location. This window allows the user to assign locations to mass spec
instruments.
7.1
Editable columns
The contents of the following columns may be edited by the user:
ƒ
ƒ
ƒ
7.2
MS Name (default is MS#####)
Description
Status (e.g. Archived, Not In Use, Decommissioned, etc.)
Instrument Activation/Deactivation
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
Page 21 of 28
The information retrieved by MSM is viewed by MSM Viewer. In MSM Viewer, users have the
choice of viewing data All, Active, or Deactivated mass spec instruments. The state of the
instrument is defined by clicking either the Activate or Deactivate buttons. For example, if mass
spec instrument MS00001 is to be deactivated, the user would select the row and click the
Deactivate button.
The user may filter the mass spec instruments for All, Activated or Deactivated mass spec
instruments by choosing the appropriate entry in the Show dropdown box
7.3
Assigning Locations to Mass Spec instruments
Users may assign a location to a mass spec instrument in two ways:
7.3.1
Apply a defined location
A location that has been defined in the Configuration – Location window (see Section 6)
may be applied to a mass spec instrument by selecting the appropriate row in the MS
Instrument table, the
Figure 16
7.3.2
Apply Location
Manually enter a location
The user may manually enter locations in the Label column.
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
8
Data Files
Figure 17
Data Files Window
In this window, the user may view the data files that have been inventoried.
8.1
Filter for MS
The user may filter the data file display by selecting choices from the Filter for MS
dropdownbox. To view all files polled, choose “All”.
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
Page 22 of 28
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
Note:
Page 23 of 28
When MSM polls the data files, it sometimes happens that no information can be
retrieved from the data file. In this instance, MSM assigns the data file to an imaginary
mass spec instrument of serial number 999999. Though no data has been stored for the
data file, it is recorded here so that MSM doesn’t unnecessarily attempt to poll it again in
the next polling event.
Figure 18
MS # 999999
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
9
Page 24 of 28
Mass Spec Entries
Figure 19
Mass Spec Entries Window
Users may view the individual injection entries and data in this window. Users may filter for each
individual instrument. In addition, users may copy the information to the clipboard by clicking the Copy
button.
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
10
Page 25 of 28
View Logs
Figure 20
View Logs Window
A log entry is entered for each of the following events:
ƒ
ƒ
ƒ
Start a polling event
Finish a polling event
Kill a polling event
Users may shorten the Select Log list by choosing a date from the ‘Include logs after’ date dropdownbox.
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
11
Requirements
Figure 21
Requirements Window
The system requirements of MSM are shown in this window
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
Page 26 of 28
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
12
Page 27 of 28
Monitor Polling Status
Figure 22
Monitor Polling Status Window
This window is used to monitor the status of an active polling session. It sometimes happens that the
polling action will stop responding because of a communication error between the MSM and the raw data
file. When this happens, the memory usage of the polling action becomes static. MSM monitors this
memory usage. If the polling action memory usage hasn’t changed within 35 seconds (7 items in the
Memory Usage listbox), then MSM will kill a service called AnalystService.exe and log the event in the
Kill AnalystService Events listbox. Killing AnalystService frees the communication error between MSM
and the raw data file. After AnalystService is killed, MSM starts it again and continues the polling action.
12.1
Check Status
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
®
Gubbs Mass Spec Metrics 1.x.x Admin/User Manual
Page 28 of 28
Though this window reports the status of the polling event every 5 seconds, the user may
manually check the status by clicking the Check Status button.
12.2
Kill MSM Polling
If the user wishes to stop the polling event for some reason, he/she may click the Kill MSM
Polling button. The polling event will be canceled and no changes will be made to the database.
12.3
Kill AnalystService
Users may manually kill AnalystService by clicking the Kill Analyst Service button, though it is
not anticipated that this will ever be necessary.
13
MSM Viewer
To be published.
Version 1.0 (March 23, 2010)
C:\GubbsIncApps\SciexMetricsTool\Administration\Manuals\MSM_AdminUserManual_01.doc
Was this manual useful for you? yes no
Thank you for your participation!

* Your assessment is very important for improving the work of artificial intelligence, which forms the content of this project

Download PDF

advertisement