000169908 001__ 169908
000169908 005__ 20260306154908.0
000169908 0247_ $$2doi$$a10.1016/j.talanta.2026.129575
000169908 0248_ $$2sideral$$a148445
000169908 037__ $$aART-2026-148445
000169908 041__ $$aeng
000169908 100__ $$0(orcid)0000-0002-7931-3901$$aAbad-Alvaro, Isabel$$uUniversidad de Zaragoza
000169908 245__ $$aTowards the harmonization of raw data processing in single particle inductively coupled plasma mass spectrometry
000169908 260__ $$c2026
000169908 5060_ $$aAccess copy available to the general public$$fUnrestricted
000169908 5203_ $$aDespite the availability of advanced data processing tools for single particle inductively coupled plasma mass spectrometry (SP-ICP-MS), users cannot fully trust on them to obtain reliable and accurate information due to their lack of validation. Along this work, current approaches for data processing have been evaluated in depth, paying special attention to the criteria and expressions used for calculation of critical values concerning the discrimination of baseline and particle readings, the counting of particle events and the determination of their total intensities, in order to promote their harmonization within the field, although focusing on quadrupole instruments. Baseline intensity was the most critical variable, since its magnitude determines which approach, Poisson or Gaussian, must be applied for discrimination of baseline and particle readings depending on its magnitude. Application of the corresponding approaches with a coverage factor of 5 led to the occurrence of less than 10 false positives (baseline readings considered as particle events) in a variety of experimental conditions (baseline intensities, number of readings, dwell times). The use of less demanding coverage factors (e.g., 3) led to increased false positives, particularly in the presence of nano- and microparticles and working at short dwell times, due to the higher occurrence of low-intensity particle events. Therefore, such conditions should be avoided.
Processing data from nano and microparticle suspensions measured at different dwell times and baseline levels with the free-access and open-source tool SPCal, resulted in reliable counting numbers and total intensities when the adequate critical values were applied. Consequently, this tool allowed the validation of a proprietary software as a proof of concept, confirming comparable results, except for the counting of particle events with high baseline levels or when using short dwell times, as long as the proposed approaches for the calculation of critical values, which were not originally implemented in such proprietary software, were applied.
000169908 536__ $$9info:eu-repo/grantAgreement/ES/DGA-FEDER/E29-23R$$9info:eu-repo/grantAgreement/ES/MICINN/PID2021-123203OB-I00$$9info:eu-repo/grantAgreement/ES/NextGenerationEU/MZ-240621
000169908 540__ $$9info:eu-repo/semantics/openAccess$$aby-nc-nd$$uhttps://creativecommons.org/licenses/by-nc-nd/4.0/deed.es
000169908 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000169908 700__ $$0(orcid)0000-0002-1856-2058$$aBolea, Eduardo$$uUniversidad de Zaragoza
000169908 700__ $$0(orcid)0000-0002-4169-0357$$aLaborda, Francisco$$uUniversidad de Zaragoza
000169908 7102_ $$12009$$2750$$aUniversidad de Zaragoza$$bDpto. Química Analítica$$cÁrea Química Analítica
000169908 773__ $$g305 (2026), 129575 [9 pp.]$$pTalanta$$tTalanta$$x0039-9140
000169908 8564_ $$s4131382$$uhttps://zaguan.unizar.es/record/169908/files/texto_completo.pdf$$yVersión publicada
000169908 8564_ $$s2405183$$uhttps://zaguan.unizar.es/record/169908/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000169908 909CO $$ooai:zaguan.unizar.es:169908$$particulos$$pdriver
000169908 951__ $$a2026-03-06-14:50:15
000169908 980__ $$aARTICLE