ChemPack Queue. Automation Queue. Walkup Queue. Data Review

Transcription

1 ChemPack Queue Automation Queue Walkup Queue Data Review 1

2 Automation Queue Automation Queue. Submit a sample to an automation Run Submit a sample to an automation File 2

3 Automation Queue Submit a sample to an automation Run 1. Click NewSample to Automation button 2. Enter sample information Panel with optional operator userremembrance on. Use My Prefs to restore user preferenes 3

4 Automation Queue Submit a sample to an automation Run 1. Click NewSample to Automation button 2. Enter sample information tempexpcontrol=no or atune= n tempexpcontrol=yes & atune= y Temp option depends on atune (protune accessory) 4

5 Automation Queue Submit a sample to an automation Run 1. Click NewSample to Automation button 2. Enter sample information 3. Select experiments. [An experiment can be set to run during night, by checking the Night/Long Q box prior to experiment selection] As experiments are selected the studyq is built. 5

6 Automation Queue Submit a sample to an automation Run 5. Customize experiments, by double-clicking on the appropriate node in studyq. In this example, PROTON. a. Selecting another experiment [for example, gcosy] for customization OR clicking the Save button, saves PROTON customization. Clicking Quit-nosave ignores PROTON customization. 6

7 Automation Queue Submit a sample to an automation Run 5. Customize experiments [optional] b. Some experiments forces customization, such as wet1d c. Customized parameter values can be entered via command line or via panel widgets. d. Sample information CANNOT be edited during customization. 7

8 Automation Queue Submit a sample to an automation Run 5. Customize experiments [optional] b. Some experiments forces customization, such as wet1d c. Customized parameter values can be entered via command line or via panel widgets. d. Sample information CANNOT be edited during customization. tempexpcontrol=yes & atune= y tempexpcontrol=no or atune= n spinexpcontrol=no spinexpcontrol=yes Spin and temp options depend on atune and Spin/Temp controller status seqfil= s2pul 8

9 Automation Queue Submit a sample to an automation Run 5. Customize experiments [optional] b. Some experiments forces customization, such as wet1d c. Customized parameter values can be entered via command line or via panel widgets. d. Sample information CANNOT be edited during customization. tempexpcontrol=yes & atune= y spinexpcontrol is irrelevant tempexpcontrol=no or atune= n spinexpcontrol is irrelevant Temp option depends on atune and Temp controller status seqfil <> s2pul 9

10 Automation Queue Submit a sample to an automation Run 5. Customize experiments [optional] 6. Select a location and click SUBMIT to submit the queue. [Check PrioritySample box for priority submission BEFORE clicking the SUBMIT button] 10

11 Automation Queue Priority Samples 1. Priority samples are run during day and ahead of other samples. 2. The dayq [enterq] continues to do priority samples until all priority samples are done before submitting non-priority samples 3. When non-priority samples are running and an user submits a priority sample, it will be run at the completion of current sample in the magnet 4. All samples submitted to overniteq are non-priority The administrator [vnmr1] sets up priority permission and limit 11

12 Automation Queue Submit a sample to an automation Run 5. Customize experiments [optional] 6. Select a location and click SUBMIT to submit the queue. 7. Tray display color key: a. Blue Active location b. Green Completed location c. Red Errored location d. Yellow Queued location with dayq only e. Purple Queued location with dayq/nightq OR nightq only f. Highlighted with circle Selected location. 12

13 Automation Queue Submit a sample to an automation Run 5. Customize experiments [optional] 6. Select a location and click SUBMIT to submit the queue. 8. EDIT option: Information from any location can be copied to curexp, edited [add/delete/customize experiments as shown in pages 3-6] and resubmitted. [see next slide for caveats] 13

14 Automation Queue Edit/(re)submit option 1. Any location that is not Active can be edited [i.e., experiments, customizations, sample information, etc. can be changed]. 2. Any location that is Completed, Errored or Queued can be resubmitted to the same [use resubmit button] or a different empty location [select location and use SUBMIT button]. 3. Submission to a different location does NOT remove the information from the original location. 4. Any location that has completed DayQ, but waiting for NightQ, can be edited [and experiments can be added to day and/or night] and resubmitted ONLY to the same location. 14

15 Automation Queue Submit a sample to an automation File 1. Select ExpQ to Automation File from MainMenu => Automation menu 2. Follow steps as shown in slide 2 through All submission information are kept in a file to be run at a later time 15

16 Walkup Queue Walkup Experiment Queue. Manual sample change Experiment queue on a single sample More experiments on a sample 16

17 Walkup Queue 1. Eject/insert sample 2. Select ExpQ on NEW sample from the Automation menu 17

18 Walkup Queue 1. Eject/insert sample 2. Select ExpQ on NEW sample from the Automation menu 3. Enter sample information. User remembrance preference is optional and buttons will appear if enabled in CPpreferences Panel with optional operator userremembrance on. Use My Prefs to restore user preferences 18

19 Walkup Queue 1. Eject/insert sample 2. Select ExpQ on NEW sample from the Automation menu 3. Enter sample information 4. Select experiments 19

20 Walkup Queue 1. Eject/insert sample 2. Select ExpQ on NEW sample from the Automation menu 3. Enter sample information 4. Select experiments As experiments are selected, the studyq is built. 20

21 Walkup Queue 5. Customize experiments, by double-clicking on the appropriate node in studyq. In this example, PROTON. a. Selecting another experiment [for example, gcosy] for customization OR clicking the Save button, saves PROTON customization. Clicking Quit-nosave ignores PROTON customization. 21

22 Walkup Queue 5. Customize experiments [optional] b. Some experiments forces customization, such as wet1d c. Customized parameter values can be entered via command line or via panel widgets. d. Sample information CANNOT be edited during customization. e. Selecting Acquire button during customization, will acquire that experiment and put the queue under pause. 22

23 Walkup Queue 5. Customize experiments [optional] 6. Start the queue [StartQ] a. Depending on probe file configuration [tuneflg], the queue may pause with tune probe now banner. After probe tuning, resume with the Acquire button. 23

24 Walkup Queue More Experiments on a sample 1. Drag-n-drop a sample directory from the browser to the studyq canvas. 2. Add/Customize/acquire additional experiments as in slides

25 Data Review There are several convenient ways to retrieve fids. The following slides depict a few different ways to access data 25

26 Data Review I Navigate through the browser and locate the data directory Drag-n-drop the directory into the graphics canvas This builds studyq for that sample Drag-n-drop into the graphics canvas 26

27 Data Review I Double-click a node or drag-n-drop a node into the canvas. This recalls the specific fid and executes Fourier Transform 27

28 Data Review II Navigate through the browser and locate the a specific FID Drag-n-drop the fid into the graphics canvas OR double-click the FID in the browser This recalls the specific fid and executes Fourier Transform 28

29 Data Review II Navigate through the browser and locate the a specific FID Drag-n-drop the fid into the graphics canvas OR double-click the FID in the browser This recalls the specific fid and executes Fourier Transform Click on RefreshSQ to display ALL FID s associated with this sample in the studyq 29

30 Data Review III If the sample was part of current Automation Run. Click autodir Tray to display Automation tray and Automation queue. 30

31 Data Review III Double click on a completed node to view the details of that sample 31

32 Data Review III Double click on a fid node This recalls the specific fid and executes Fourier Transform 32

33 Data Review IV If the sample was part of earlier [i.e., archived] Automation Run. Select Show Tray archives in MainMenu => Automation menu. Select the specific automation run to display 33

34 Data Review IV If the sample was part of earlier [i.e., archived] Automation Run. Select Show Tray archives in MainMenu => Automation menu. Select the specific automation run to display 34

35 Data Review IV Double click on a completed node to view the details of that sample 35

36 Data Review IV Double click on a fid node This recalls the specific fid and executes Fourier Transform 36