SYSTEMS AND METHODS FOR AUTOMATED OPTIMIZATION OF A MULTI-MODE INDUCTIVELY COUPLED PLASMA MASS SPECTROMETER

• US 20150235827A1
• Filed: 02/13/2015
• Published: 08/20/2015
• Est. Priority Date: 02/14/2014
• Status: Active Grant

• Current Assignee: Perkin Elmer Life Sciences
• Original Assignee: PerkinElmer Health Sciences, Inc. (Revvity, Inc.)
• Inventors: Bazargan, Samad, Badiei, Hamid, Patel, Pritesh
• Granted Patent: US 10,181,394 B2
• Time in Patent Office: Days
• US Class Current: 1/1
• CPC Class Codes: H01J 49/0009 Calibration of the apparatus
• CPC Class Codes: H01J 49/0027 Methods for using particle spectrometers
• CPC Class Codes: H01J 49/0031 Step by step routines describing the use of the apparatus H01J49/0081 takes precedence
• CPC Class Codes: H01J 49/061 Ion deflecting means, e.g. ion gates
• CPC Class Codes: H01J 49/105 using high-frequency excitation, e.g. microwave excitation, Inductively Coupled Plasma [ICP]

Abstract

The present disclosure provides methods and systems for automated tuning of multimode inductively coupled plasma mass spectrometers (ICP-MS). In certain embodiments, a ‘single click’ optimization method is provided for a multi-mode ICP-MS system that automates tuning of the system in one or more modes selected from among the multiple modes, e.g., a vented cell mode, a reaction cell mode (e.g., dynamic reaction cell mode), and a collision cell mode (e.g., kinetic energy discrimination mode). Workflows and computational routines, including a dynamic range optimization technique, are presented that provide faster, more efficient, and more accurate tuning.

Claims

1. A system for automated optimization (tuning) of a multi-mode inductively coupled plasma mass spectrometer (ICP-MS), the system comprising:

a multi-mode inductively coupled plasma mass spectrometer (ICP-MS);

a processor and a non-transitory computer readable medium storing instructions thereon, wherein the instructions, when executed, cause the processor to;

receive user data input regarding an optimization to be performed on the ICP-MS, wherein the user data input comprises an identification of one or more selected modes of operation in which the ICP-MS is to be operated;

receive a user input for initiating an automated optimization routine for the ICP-MS; and

following receipt of the user input for initiating the routine, transmit a signal to the ICP-MS to perform the automated optimization routine, wherein the automated optimization routine comprises a plurality of steps performed in a sequence prescribed by the processor.

2. The system of claim 1, wherein the one or more modes include one, two, or all three of:

(a) a vented cell mode, (b) a reaction cell mode, and (c) a collision cell mode.

3. The system of claim 1 or 2, wherein the user input for initiating the routine comprises at least one action selected from the group consisting of a ‘

single click’

, a keystroke, a swipe, and a selection, of a graphical user interface widget.

4. The system of any one of the preceding claims, wherein the automated optimization routine comprises an ICP-MS performance assessment subsequence, said subsequence comprising the steps of automatically conducting a first performance assessment, then, if the first assessment is satisfactory, conducting a second performance assessment, else, if the first assessment is unsatisfactory, ending the subsequence and identifying the performance assessment as failed, wherein the first performance assessment contains fewer steps and is less time consuming to conduct than the second performance assessment.

5. The system of claim 4, wherein the automated optimization routine comprises a plurality of levels, each level having steps associated therewith, wherein the routine is programmed to proceed from a given level to a subsequent level if a performance assessment subsequence performed at the conclusion of the preceding steps in the given level is identified as failed, else, if the performance assessment subsequence performed at the conclusion of the preceding steps in the given level is identified as satisfactory, the routine is programmed to end the optimization.

6. The system of any one of the preceding claims, wherein the automated optimization routine comprises one or more steps selected from the group consisting of (i) adjustment/alignment of the torch (inductively coupled plasma) relative to the mass spectrometer, (ii) quadrupole ion deflector (QID) calibration, (iii) quadrupole rod offset (QRO), (iv) nebulizer gas flow optimization, (v) cell rod offset (CRO) optimization, (vi) cell entrance and/or exit optimization, (vii) mass calibration, and (viii) detector optimization.

7. The system of any one of the preceding claims, wherein the automated optimization routine comprises:

one or both of (i) a nebulizer gas flow optimization step, and (ii) a quadrupole ion deflector (QID) calibration step, said optimization routine comprising a dynamic range optimization subsequence associated with steps (i) and/or (ii),

wherein the dynamic range optimization subsequence comprises initiating the associated optimization step by adjusting an associated setting within a predetermined initial range determined from a stored value of the setting identified in a previous optimization of the ICP-MS, and where optimization criteria are not met within the predetermined initial range, automatically identifying a new range in a direction of improved performance, and continuing to identify subsequent new ranges until the optimization criteria are met, then recording the corresponding setting for later use.

8. The system of any one of the preceding claims, wherein the automated optimization routine comprises one or both of (i) a cell rod offset (CRO) step, and (ii) a cell entrance/exit step, said optimization routine comprising a normalization subroutine associated with steps (i) and/or (ii), wherein the normalization subroutine comprises identifying an optimized setting associated with the step by normalizing pulse intensities determined from the ICP-MS over a range of voltages, for each of a plurality of analytes, then using the normalized values to identify the optimized setting.

9. The system of claim 8, wherein the normalization subroutine further comprises the step of multiplying the normalized values at the respective voltage and identifying a best compromised point from the result, thereby identifying the optimized setting.

10. The system of any one of the preceding claims, the system further comprising an autosampler, wherein the automated optimization routine comprises a smart sampling subroutine comprising (i) the step of identifying, during the optimization routine, if and when use of a first analyte solution should be discontinued and use of a second analyte solution be initiated, and (ii) upon identification that the first analyte solution should be discontinued and use of the second analyte solution be initiated, transmitting a signal to initiate automated introduction of the second analyte solution in the optimization routine of the ICP-MS via the autosampler.

11. The system of any one of the preceding claims, wherein the automated optimization routine comprises the step of rendering, by the processor, for presentation on a graphical user interface (e.g., an electronic screen), graphical and/or alphanumeric output representing one or more steps being performed in the automated optimization routine.

12. The system of claim 11, wherein the automated optimization routine comprises the step of displaying the graphical and/or alphanumeric output on the graphical user interface in real time as the corresponding one or more step(s) are being performed during the automated optimization routine.

13. The system of any one of the preceding claims, wherein the user data input regarding the optimization further comprises an indication of cell gas flow rate.

14. A method for automated optimization (tuning) of a multi-mode inductively coupled plasma mass spectrometer (ICP-MS), the method comprising:

receiving, by a processor of a computing device, user data input regarding an optimization to be performed on a multi-mode inductively coupled plasma mass spectrometer (ICP-MS), wherein the user data input comprises an identification of one or more selected modes of operation in which the ICP-MS is to be operated;

receiving, by the processor, a user input for initiating an automated optimization routine for the ICP-MS; and

,

following receipt of the user input for initiating the routine, transmitting, by the processor, a signal to the ICP-MS to perform the automated optimization routine, wherein the automated optimization routine comprises a plurality of steps performed in a sequence prescribed by the processor.

15. The method of claim 14, wherein the one or more modes include one, two, or all three of:

(a) a vented cell mode, (b) a reaction cell mode, and (c) a collision cell mode.

16. The method of claim 14 or 15, wherein the user input for initiating the routine comprises at least one action selected from the group consisting of a ‘

single click’

, a keystroke, a swipe, and selection, of a graphical user interface widget.

17. The method of claim any one of claims 14-16, further comprising performing the automated optimization routine.

18. The method of claim 17, wherein performing the automated optimization routine comprises automatically adjusting one or more settings of the ICP-MS during the automated optimization routine.

19. The method of any one of claims 14 to 18, wherein the automated optimization routine comprises an ICP-MS performance assessment subsequence, said subsequence comprising the steps of automatically conducting a first performance assessment, then, if the first assessment is satisfactory, conducting a second performance assessment, else, if the first assessment is unsatisfactory, ending the subsequence and identifying the performance assessment as failed, wherein the first performance assessment contains fewer steps and is less time consuming to conduct than the second performance assessment.

20. The method of claim 19, wherein the automated optimization routine comprises a plurality of levels, each level having steps associated therewith, wherein the routine is programmed to proceed from a given level to a subsequent level if a performance assessment subsequence performed at the conclusion of the preceding steps in the given level is identified as failed, else, if the performance assessment subsequence performed at the conclusion of the preceding steps in the given level is identified as satisfactory, the routine is programmed to end the optimization.

21. The method of any one of claims 14 to 20, wherein the automated optimization routine comprises one or more steps selected from the group consisting of (i) adjustment/alignment of the torch (inductively coupled plasma) relative to the mass spectrometer, (ii) quadrupole ion deflector (QID) calibration, (iii) quadrupole rod offset (QRO), (iv) nebulizer gas flow optimization, (v) cell rod offset (CRO) optimization, (vi) cell entrance and/or exit optimization, (vii) mass calibration, and (viii) detector optimization.

22. The method of any one of claims 14 to 21, wherein the automated optimization routine comprises one or both of (i) a nebulizer gas flow optimization step, and (ii) a quadrupole ion deflector (QID) calibration step, said optimization routine comprising a dynamic range optimization subsequence associated with steps (i) and/or (ii), wherein the dynamic range optimization subsequence comprises initiating the associated optimization step by adjusting an associated setting within a predetermined initial range determined from a stored value of the setting identified in a previous optimization of the ICP-MS and where optimization criteria are not met within the predetermined initial range, automatically identifying a new range in a direction of improved performance, and continuing to identify subsequent new ranges until the optimization criteria are met, then recording the corresponding setting for later use.

23. The method of any one of claims 14 to 22, wherein the automated optimization routine comprises one or both of (i) a cell rod offset (CRO) step, and (ii) a cell entrance/exit step, said optimization routine comprising a normalization subroutine associated with steps (i) and/or (ii), wherein the normalization subroutine comprises identifying an optimized setting associated with the step by normalizing pulse intensities determined from the ICP-MS over a range of voltages, for each of a plurality of analytes, then using the normalized values to identify the optimized setting.

24. The method of claim 23, wherein the normalization subroutine further comprises the step of multiplying the normalized values at the respective voltage and identifying a best compromised point from the result, thereby identifying the optimized setting.

25. The method of any one of claims 14 to 24, wherein the ICP-MS comprises an autosampler, wherein the automated optimization routine comprises a smart sampling subroutine comprising (i) the step of identifying, during the optimization routine, if and when use of a first analyte solution should be discontinued and use of a second analyte solution be initiated, and (ii) upon identification that the first analyte solution should be discontinued and use of the second analyte solution be initiated, transmitting a signal to initiate automated introduction of the second analyte solution in the optimization routine of the ICP-MS via the autosampler.

26. The method of any one of claims 14 to 25, comprising rendering, by the processor, for presentation on a graphical user interface, graphical and/or alphanumeric output representing one or more steps being performed in the automated optimization routine.

27. The method of claim 26, comprising displaying the graphical and/or alphanumeric output on the graphical user interface in real time as the corresponding one or more step(s) are being performed during the automated optimization routine.

28. The method of any one of claims 14 to 27, wherein the user data input regarding the optimization further comprises an indication of cell gas flow rate.

29. A non-transitory computer readable medium having instructions stored thereon, wherein the instructions, when executed by a processor, cause the processor to:

receive user data input regarding an optimization to be performed on a multi-mode inductively coupled plasma mass spectrometer (ICP-MS), wherein the user data input comprises an identification of one or more selected modes of operation in which the ICP-MS is to be operated;

receive a user input for initiating an automated optimization routine for the ICP-MS; and

,

following receipt of the user input for initiating the routine, transmit a signal to the ICP-MS to perform the automated optimization routine, wherein the automated optimization routine comprises a plurality of steps performed in a sequence prescribed by the processor.

30. The non-transitory computer readable medium of claim 29, wherein the one or more modes include one, two, or all three of:

(a) a vented cell mode, (b) a reaction cell mode, and (c) a collision cell mode.

31. The non-transitory computer readable medium of claim 29 or 30, wherein the user input for initiating the routine comprises at least one action selected from the group consisting of a ‘

single click’

, a keystroke, a swipe, and selection, of a graphical user interface widget.

32. The non-transitory computer readable medium of any one of claims 29-31, wherein the automated optimization routine comprises an ICP-MS performance assessment subsequence, said subsequence comprising the steps of automatically conducting a first performance assessment, then, if the first assessment is satisfactory, conducting a second performance assessment, else, if the first assessment is unsatisfactory, ending the subsequence and identifying the performance assessment as failed, wherein the first performance assessment contains fewer steps and is less time consuming to conduct than the second performance assessment.

33. The non-transitory computer readable medium of claim 32, wherein the automated optimization routine comprises a plurality of levels, each level having steps associated therewith, wherein the routine is programmed to proceed from a given level to a subsequent level if a performance assessment subsequence performed at the conclusion of the preceding steps in the given level is identified as failed, else, if the performance assessment subsequence performed at the conclusion of the preceding steps in the given level is identified as satisfactory, the routine is programmed to end the optimization.

34. The non-transitory computer readable medium of any one of claims 29 to 33, wherein the automated optimization routine comprises one or more steps selected from the group consisting of (i) adjustment/alignment of the torch (inductively coupled plasma) relative to the mass spectrometer, (ii) quadrupole ion deflector (QID) calibration, (iii) quadrupole rod offset (QRO), (iv) nebulizer gas flow optimization, (v) cell rod offset (CRO) optimization, (vi) cell entrance and/or exit optimization, (vii) mass calibration, and (viii) detector optimization.

35. The non-transitory computer readable medium of any one of claims 29 to 34, wherein the automated optimization routine comprises one or both of (i) a nebulizer gas flow optimization step, and (ii) a quadrupole ion deflector (QID) calibration step, said optimization routine comprising a dynamic range optimization subsequence associated with steps (i) and/or (ii), wherein the dynamic range optimization subsequence comprises initiating the associated optimization step by adjusting an associated setting within a predetermined initial range determined from a stored value of the setting identified in a previous optimization of the ICP-MS (e.g., within a range of predetermined size about the previously-determined optimized value), and where optimization criteria are not met within the predetermined initial range, automatically identifying a new range in a direction of improved performance, and continuing to identify subsequent new ranges until the optimization criteria are met, then recording the corresponding setting for later use.

36. The non-transitory computer readable medium of any one of claims 29 to 35, wherein the automated optimization routine comprises one or both of (i) a cell rod offset (CRO) step, and (ii) a cell entrance/exit step, said optimization routine comprising a normalization subroutine associated with steps (i) and/or (ii), wherein the normalization subroutine comprises identifying an optimized setting associated with the step by normalizing pulse intensities determined from the ICP-MS over a range of voltages, for each of a plurality of analytes, then using the normalized values to identify the optimized setting.

37. The non-transitory computer readable medium of any one of claims 29 to 36, wherein the normalization subroutine further comprises the step of multiplying the normalized values at the respective voltage and identifying a best compromised point from the result, thereby identifying the optimized setting.

38. The non-transitory computer readable medium of any one of claims 29 to 37, wherein the ICP-MS comprises an autosampler, and wherein the automated optimization routine comprises a smart sampling subroutine comprising (i) the step of identifying, during the optimization routine, if and when use of a first analyte solution should be discontinued and use of a second analyte solution be initiated, and (ii) upon identification that the first analyte solution should be discontinued and use of the second analyte solution be initiated, transmitting a signal to initiate automated introduction of the second analyte solution in the optimization routine of the ICP-MS via the autosampler.

39. The non-transitory computer readable medium of any one of claims 29 to 38, wherein the automated optimization routine comprises the step of rendering, by the processor, for presentation on a graphical user interface, graphical and/or alphanumeric output representing one or more steps being performed in the automated optimization routine.

40. The non-transitory computer readable medium of any one of claims 29 to 39, wherein the automated optimization routine comprises the step of displaying the graphical and/or alphanumeric output on the graphical user interface in real time as the corresponding one or more step(s) are being performed during the automated optimization routine.

41. The non-transitory computer readable medium of any one of claims 29 to 40, wherein the user data input regarding the optimization further comprises an indication of cell gas flow rate.