Table 1
Devices supported by Atomize as of 2025.
| TYPE OF DEVICE | MANUFACTURER/MODEL |
|---|---|
| Temperature Controller | Lakeshore 325; 331; 332; 335; 336; 340 Oxford Instruments ITC 503 Termodat 11M6; 13KX3 Stanford Research PTC10 Scientific Instruments SCM10 |
| Lock-in Amplifier | Stanford Research SR-810; SR-830; SR-850; SR-860; SR-865a |
| Oscilloscope | Keysight InfiniiVision 2000, 3000, 4000 X-Series (Ethernet) Tektronix 3000, 4000 Series Tektronix 5 Series MSO |
| Digitizer (PCI, PCIe ADC) | Spectrum M4I 4450 X8; M4I 2211 X8 Insys FM214x3GDA L-card L502 |
| Arbitrary Wave Generator(PCI, PCIe DAC; Oscilloscope DAC) | Spectrum M4I 6631 X8 Insys FM214x3GDA Keysight InfiniiVision 2000, 3000, 4000 X-Series |
| Multichannel TTL Pulse Generator | Pulse Blaster ESR 500 Pro Pulse Programmer Micran based on Insys FMC126P Insys FM214x3GDA |
| Frequency Counter | Agilent 53181A; 53131A/132A; 5343A Keysight 53230A/220A |
| Magnetic Field Controller | Bruker BH15; ER032M |
| Microwave Bridge Controller | Micran X-band MW Bridge Micran Q-band MW Bridge |
| Gaussmeter | Lakeshore 455 DSP NMR Gaussmeter Sibir 1 |
| Power Supply | Rigol DP800 Series Stanford Research DC205; PS300 |
| Magnet Power Supply | Cryomagnetics 4G |
| Delay Generator | Stanford Research DG535 |
| Moisture Meter | IVG-1/1 |
| Balance | CPWplus 150 |
| Other | RODOS-10N Owen-MK110-220.4DN.4R Cryomagnetics LM-510 Cryomech CPA2896, CPA1110 |
Table 2
Research institutes known to the developers that use Atomize software as of 2025.
| ORGANIZATION | TYPE OF SPECTROMETER | REFERENCE |
|---|---|---|
| Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS | X-band pulsed EPR | [5] |
| Vorozhtsov Novosibirsk Institute of Organic Chemistry SB RAS | Q-band pulsed EPR | – |
| International Tomography Center SB RAS | ADC and DAC unit for X-, Q-band pulsed EPR | [8] |
| Budker Institute of Nuclear Physics SB RAS, International Tomography Center SB RAS | X-band EPR endstation at the Novosibirsk free electron laser facility | [7, 9, 10, 11, 12] |
| Zavoisky Physical-Technical Institute RAS | ADC, DAC, and multichannel pulse generator unit for X-, Q-band pulsed EPR | – |
| International Tomography Center SB RAS | Control software for Cryomech liquid helium plant LHeP22 | – |
Figure 1
The general structure of the modular software Atomize.
Listing 1
The same method lock_in_time_constant() sets and queries the time constant of the lock-in amplifier used.
Listing 2
Several examples of auxiliary dictionaries and parameter limits from different modules.
Listing 3
Examples of Python dictionaries for handling the dimensions of physical quantities.
Listing 4
A minimal example of plotting one-dimensional data
Listing 5
A minimal example of plotting two-dimensional data
Figure 2
The schematic representation of the execution flow of experimental scripts. After an experimental script is written and launched in Atomize, a test run is performed, in which there is no access to the devices used. Test runs only check the correctness of device settings, experiment logic, and syntax. If there are no errors in the script, after the test run, the same script is immediately executed in the standard mode with full access to the instruments used.
Listing 6
An example of a parameter check used in the lock_in_ref_amplitude() method of the Stanford Research SR-830 module. The test_flag parameter is used to indicate the start of the test part of the module. A class attribute self.test_amplitude shows an example of the specially generated test data.
Table 3
Contributors who are not listed as the authors of this paper.
| NAME | AFFILIATION | CONTRIBUTION | ORCHID/GITHUB |
|---|---|---|---|
| Phil Reinhold | Department of Applied Physics, Yale University, New Haven | First realization of the liveplot utility | 0000-0002-8141-1842 |
| Jens Törring | Free University of Berlin, Berlin | Fsc2 creator; C code for old Bruker devices | – |
| Chris Billington | Institute for Photonics and Advanced Sensing, University of Adelaide, Melbourne | Python API for Pulse Blaster ESR 500 Pro | chrisjbillington |
| Phil Starkey | Software Developer, Melbourne | Python API for Pulse Blaster ESR 500 Pro | philipstarkey |
| Michael Bowman | Department of Chemistry & Biochemistry, University of Alabama, Tuscaloosa | Fruitful discussions | 0000-0003-3464-9409 |
| Nikolay Isaev | Voevodsky Institute of Chemical Kinetics and Combustion SB RAS, Novosibirsk | Fruitful discussions; testing | 0000-0002-3076-0196 |
Figure 3
Basic principles of CW EPR spectroscopy. (a) A schematic representation of a continuous wave EPR experiment. The sample is continuously irradiated with microwaves, while an external magnetic field is swept. A small additional modulation of the magnetic field (typically up to 1 mT) is applied to enable lock-in detection at the modulation frequency. (b) A diagram of a possible experimental setup. A lock-in amplifier, magnetic field controller, and frequency counter are controlled via Atomize. Numbers show: 1 – sample; 2 – magnetic field modulation coils; 3 – microwave cavity; 4 – electromagnet. (c) Schematic representation of the experimental procedure presented in Listings 7, 11, 9 as an example of CW EPR spectrum measurement.
Listing 7
Import and initialization of the necessary devices required for recording CW EPR spectra.
Listing 8
Configuration of necessary devices and other script parameters.
Listing 9
The main sequence of actions for recording CW EPR spectra.