Open Access

Table B.2

Matched datasets between BASECOL collisional data and CDMS or JPL data. The selection does not reflect any quality assessments but aims to provide benchmark for all cases. Columns 1, 9, 10 provide the names of respectively the matched, collisional and spectroscopic files that can be found on ZENODO (https://doi.org/10.5281/zenodo.15691069). Column Levels indicates the number of matched levels.

.txt .xsams .csva Case Molecules Collider Levels QN Coll. Ref SPECTRO TAG BAS_N.xsams SPECTRO_N.xsams
M_36ArH+_He dcs 36ArH+ He rll J Bop et al. (2016) 37502-vl*:Ar-36-H+;υ = 0 36ArH+_He CDMS_37502_36ArH+
M_CF+_paraH2 dcs CF+ p-H2 r22 J. [v=0]h Desrousseaux et al. (2021 ) 31507-v2*:CF+;υ = 0,1 CF+_paraH2 CDMS_31507_CF+
M_CH+_He des CH+ He rll J Hammami et al. (2009) 13503-v2*:CH+;υ = 0 CH+_He CDMS_13503_CH+
M_CN-_paraH2_one des CN p-H2 rll J Klos & Lique (2011)b 26506-v2*:CN-;υ = 0c CN-_paraH2 CDMS_26506_CN
M_CN-_orthoH2 des CN o-H2 rll J Klos & Lique (2011) 26506-v2*:CN-;υ = 0c CN-_orthoH2 CDMS_26506_CN
Μ_CO_H_v0 des CO H r45 J, v Walker et al. (2015) 28503-vl:CO;υ = 0 CO_H CDMS_28503_CO
M_CS_paraH2_v0 des CS p-H2 r30 J, [v=0]h Denis-Alpizar et al. (2018) 44501-v2*:CS;υ = 0-4 CS_paraH2 CDMS_44501_CS
M_CS_paraH2_vld des CS p-H2 r30 J.[v=l(C)]h Denis-Alpizar et al. (2018) 44501-v2*:CS;υ = 0-4 CS_paraH2 CDMS_44501_CS
M_HD_H des HD H rll J, v Desrousseaux et al. (2018) 3501 v2*:HD;υ = 0, 1 HD_H CDMS_3501_HD
M_HeH+_H des HeH+ H r10 J Desrousseaux & Lique (2020) 5502-vl*:HeH+;υ = 0 HeH+_H CDMS_5502_HeH+
M_HCl_He_hyp des HC1 He h40 J,F Lanza & Lique (2012) 36001-v2:HCl;υ = 0 HCl_He_hyp JPL_36001_HCl
M_HF_paraH2_one des HF p-H2 r6 J Guillon & Stoecklin (2012)b 20002-vl:HF;υ = 0 HF paraH2 JPL_20002_HF
M_HF_paraH2_alla des HF P-H2 r6 J Guillon & Stoecklin (2012) all 20002-vl:HF;υ = 0 HF_paraH2 JPL_20002_HF
M_KCl_paraH2 des KC1 P-H2 rl6 J.v [v=0]h Sahnoun et al. (2018) 74505-v2*:K-39-Cl-35;υ = 0-15 KCl_paraH2 CDMS_74505_K-39-Cl-35
M_NaH_He des NaH He rll J.v [v=0]h Bop et al. (2019) 25002-vl:NaH;υ = 0e NaH_He JPL_25002_NaH
M_NeH+_He des NeH+ He rll J Bop et al. (2017) 21501 vl*:NeH+;υ = 0 NeH+_He CDMS_21501_NeH+
M_NO+_paraH2 des NO+ P-H2 r19 J.v[v=0]'′ Cabrera-González et al. (2020) 30512-v3*:NO+;υ = 0,1c NO+_paraH2 CDMS_30512_NO+
M_NS+_paraH2_hyp des NS+ P-H2 hl6 J, F Bop (2019) 46527-vl*:NS+;υ = 0c NS+_paraH2_hyp CDMS_46527_NS+
M_NS+_paraH2 des NS+ p-H2 rl5 J Bop et al. (2022a) 46527-vl*:NS+;υ = 0c NS+_paraH2 CDMS_46527_NS+
M_PN_paraH2 des PN p-H2 r40 J, v Najar et al. (2017) 455H-v2*:PN;υ = 0-5c PN_paraH2 CDMS_45511_PN
M_SiH+_He des SiH+ He rll J Nkem et al. (2009) 29521-vl*:SiH+;υ = 0 SiH+_He CDMS_29521_SiH+
M_SiO_orthoH2_CC des SiO o-H2 r21 J.v[v=0]h Balança et al. (2018) 44505-v2*:SiO;υ = 0 - 10 SiO_orthoH2_CC CDMS_44505_SiO
M_SiS_orthoH2 des SiS o-H2 r41 Jf Klos & Lique (2008) 60506-vl*:SiS;υ = 0-20 SiS_orthoH2 CDMS_60506_SiS_cut
M_CN_paraH2_hyp hundb CN p-H2 h73 N.J.F.V [v=0]h Kalugina & Lique (2015) 26504-vl*:CN;υ = 0,1 CN_paraH2_hyp CDMS_26504_CN
M_13CN_paraH2_hyp hundb 13CN p-H2 h146 N.J.F1.F Flower & Lique (2015) 27505-vl*:C-13-N;υ = 0 13CN_paraH2_hyp CDMS_27505_C-13-N
M_C15N_paraH2_hyp hundb C15N p-H2 h34 N.J.F Flower & Lique (2015) 27506-vl*:CN-15;υ = 0 C15N_paraH2_hyp CDMS_27506_CN-15
M_NH_paraH2_hyp hundb NH p-H2 h71 N.J.F1.F Pirlot Jankowiak et al. (2024) 15501-vl:NH;υ = 0 NH_paraH2_hyp CDMS_15501_NH
M_ND_paraH2_hyp hundb ND p-H2 hl05 N.J.F1.F Pirlot Jankowiak et al. (2024) 16502vl:ND;υ = 0 ND_paraH2_hyp CDMS_16502_ND
M_O2_He hundb o2 He f36 N.J Lique (2010) 32508-v2*:O2;X3;υ = 0 O2_He CDMS_32508_O2
M_SO_paraH2 hundb so p-H2 f31 N.J Lique et al. (2007) 48501 vl:SO;υ = 0 SO_paraH2 CDMS_48501_SO
M_AlCN_He Itcs A1CN He r30 J Hernández Vera et al. (2013) 53505-vl:AlCN;υ = 0c AlCN_He CDMS_53505_A1CN
M_A1NC paraH2 Ites A1NC p-H2 r27 J Urzúa-Leiva & Denis-Alpizar (2020) 53501-vl:AlNC;υ = 0c AlNC_paraH2 CDMS_53501_A1NC
M_C2H-_He Ites C2H He r9 J Gianturco et al. (2019) 25504-v2*:C2H-;υ = 0 C2H-_He CDMS_25504_C2H-
M_HCO+_paraH2 Ites HCO+ P-H2 r22 J Denis-Alpizar et al. (2020) 29507-v2*:HCO+;υ = 0 HCO+_paraH2 CDMS_29507_HCO+
M_HCO-17+_paraH2_hyp Ites HC17O+ P-H2 h32 J, F Tonolo et al. (2022) 30505-v2*:HCO-17+;υ = 0 HCO-17+_paraH2_hyp CDMS_30505_HCO-17+
M_DCO+_paraH2 Ites DCO+ P-H2 r22 J Denis-Alpizar et al. (2020) 30510-v3*:DCO+;υ = 0 DCO+_paraH2 CDMS_30510_DCO+
M_HCP_paraH2 Ites HCP P-H2 rll J Hammami et al. (2008) 44502-v2*:HCP;υ = 0 HCP_paraH2.txt CDMS_44502_HCP
M_DCN_electron_hyp Ites DCN electron hl0 J, F Faure et al. (2007b) 28509-vl*:DCN;υ = 0c DCN_electron_hyp CDMS_28509_DCN
M_DNC_electron Ites DNC electron r9 J Faure et al. (2007b) 28508-v2*:DNC;υ = 0c,g DNC_electron CDMS_28508_DNC
M_HCN_electron Ites HCN electron r9 J Faure et al. (2007b) 27501-v4*:HCN;υ = 0c HCN_electron CDMS_27501_HCN
M_HCN_electron_hyp Ites HCN electron hl0 J, F Faure et al. (2007b) 27501-v4*:HCN;υ = 0c HCN_electron_hyp CDMS_27501_HCN
M_HCN_paraH2O_therm Ites HCN t-p-H2O r8 J Dubernet & Quintas-Sánchez (2019) 27501-v4*:HCN;υ = 0c HCN_paraH2O_therm CDMS_27501_HCN
M_HCN_paraH2 Ites HCN p-H2 r26 J Hernández Vera et al. (2017) 27501-v4*:HCN;υ = 0c HCN_paraH2 CDMS_27501_HCN
M_HCN_paraH2_hyp Ites HCN p-H2 h34 J, F Goicoechea et al. (2022) 27501-v4*:HCN;υ = 0c HCN_paraH2_hyp CDMS_27501_HCN
M_HNC_paraH2 Ites HNC p-H2 r26 J Hernández Vera et al. (2017) 27502-v2*:HNC;υ = 0 HNC_paraH2 CDMS_27502_HNC
M_HCS+_paraH2 Ites HCS+ p-H2 r31 J Denis-Alpizar et al. (2022) 45506-vl:HCS+;υ = 0 HCS+_paraH2 CDMS_45506_HCS+
M_N2H+_paraH2 Ites n2H+ p-H2 r21 J Balança et al. (2020) 29506-v4*:N2H+;υ = 0c N2H+_paraH2 CDMS_29506_N2H+
M_N2H+_paraH2_hyp Ites N2H+ p-H2 h64 J. F1. F Lique et al. (2015) 29506-v4*:N2H+;υ = 0c N2H+_paraH2_hyp CDMS_29506_N2H+
M_OCS_He Ites OCS He r40 J Denis-Alpizar et al. (2023) 60503-v2*:OCS;υ = 0 OCS_He CDMS_60503_OCS
M-orthoD2O_paraH2 nltcs o-D2O P-H2 r6 J. Ka, Kc Faure et al. (2012) 20502-v2*:D20; υ = 0 orthoD2O_paraH2 CDMS_20502_D20
M_paraD2O_paraH2 nltcs p-d2O P-H2 r6 J, Ka, Kc Faure et al. (2012) 20502-v2*:D20; υ = 0 paraD2O_paraH2 CDMS_20502_D20
M_HDOb_electron nltcs HDO electron r36 J, Ka, Kc Faure et al. (2004) 19002-v3:HDO;υ = 0 HDOb_electron JPL_19002_HDO
M_HDOa_electron nltcs HDO electron r36 J, Ka, Kc Faure et al. (2004) 19002- v3 : HDO ;υ = 0 HDOa_electron JPL_19002_HDO
M_HDO_paraH2_therm nltcs HDO t-p-H2 r30 J, Ka, Kc Faure et al. (2012) 19002- v3 : HDO;υ = 0 HDO_paraH2_therm JPL_19002_HDO
M_paraH2O_paraH2_a nltcs p-H2O p-H2 r97 J, Ka, Kc Zóltowski et al. (2021) 18003-v6:H20;υ = 0 paraH2O_paraH2_a JPL_18003_H20
M_paraH2O_paraH2_b_one nltcs p-H2O p-H2 r45 J, Ka, Kc Daniel et al. (2011)b 18003-v6:H20;υ = 0 paraH2O_paraH2_b JPL_18003_H20
M_paraH2O_paraH2_therm nltcs p-H2O t-p-H2 r45 J, Ka, Kc Faure et al. (2007a) 18003-v6:H2O;υ = 0 paraH2O_paraH2_therm JPL_18003_H20
M_paraH2O_H2O_therm_2 nltcs p-H2O t-H2O r22 J, Ka, Kc Mandal & Babikov (2023) 18003 v6:H2O;υ = 0 paraH2O_H2O_therm_2 JPL_18003_H20
M_orthoH2O orthoH2 one nltcs o-H2O o-H2 r45 J, Ka, Kc Daniel et al. (2011)b 18003-v6:H20;υ = 0 orthoH2O_orthoH2 JPL_18003_H20
M_orthoH2O_H2O_therm_1 nltcs o-H2O t-H2O r59 J, Ka, Kc Boursier et al. (2020) 18003-v6:H20;υ = 0 orthoH2O_H2O_therm_1 JPL_18003_H2O
M_paraH2S_paraH2 nltcs p-H2S p-H2 rl9 J, Ka, Kc Dagdigian (2020a) 34502-vl*:H2S;υ = 0 paraH2S_paraH2 CDMS_34502_H2S
M_orthoH2S_paraH2 nltcs o-H2S p-H2 rl9 J, Ka, Kc Dagdigian (2020a) 34502-vl*:H2S;υ = 0 orthoH2S_paraH2 CDMS_34502_H2S
M_MgC2_He nltcs MgC2 He r36 J, Ka, Kc M’hamdi et al. (2025) 48512-vl*:MgC2;υ = 0 MgC2_He CDMS-48512_MgC2
M_paraSi2C_paraH2 nltcs p-Si2C p-H2 r31 J, Ka, Kc Cabrera-Gonzalez et al. (2023) 68508-vl*:Si2C;υ = 0 paraSi2C_paraH2 CDMS-68508_Si2C
M_SO2_paraH2 nltcs SO2 p-H2 r31 J, Ka, Kc Cerni charo et al. (2011) 64502-v2*:SO2;υ = 0 SO2_paraH2 CDMS_64502_SO2
M_para_H3O+_electron stcs p-H3O+ electron r8 J, K, vibInv Faure & Tennyson (2003) 19503-vl*:H3O+;υ = 0 paraH3O+_electron CDMS_19503_H3O+
M_orthoH3O+ paraH2 stcs o-H3O+ p-H2 rll J, K, vibInv Demes et al. (2022) 19503-vl*:H3O+;υ = 0 orthoH3O+_paraH2 CDMS_19503_H3O+
M_paraNH3_paraH2_one stcs p-NH3 p-H2 r62 J, K, vibInv Demes et al. (2023)b 17002-v5:NH3;υ = 0 paraNH3_paraH2 JPL_17002_NH3
M_orthoNH3 paraH2 one stcs o-NH3 p-H2 r33 J, K, viblnv Demes et al. (2023)b 17002-v5:NH3;υ = 0 orthoNH3_paraH2 JPL_17002_NH3
M_paraNH3_paraH2_therm stcs p-nh3 t-p-H2 r62 J, K, vibInv Demes et al. (2023) 17002-v5:NH3;υ = 0 paraNH3_paraH2_therm JPL_17002_NH3
M_paraND3_paraH2 stcs p-ND3 p-H2 r9 [A] Daniel et al. (2016) 20501 vl:ND3;υ = 0c paraND3_paraH2 CDMS_20501_ND3
M_orthoND3_paraH2 stcs o-ND3 p-H2 rl6 J, K, viblnv Daniel et al. (2016) 20501 vl:ND3;υ = 0c orthoND3_paraH2 CDMS_20501_ND3
M_metaND3_paraH2 stcs meta-ND3 p-H2 r9 J, K, viblnv Daniel et al. (2016) 20501 v1 :ND3;υ = 0c metaND3_paraH2 CDMS_20501_ND3
M_HOCO+ He asymcs HOCO+ He r25 J, Ka, Kc Hammami et al. (2007) 45522-vl*:HOCO+;υ = 0 HOCO+_He CDMS_45522_HOCO+
M_orthoc-C3H2 He asymcs o-c-C3H2 He r47 J, Ka, Kc Chandra & Kegel (2000) 38502-v2*:c-C3H2;υ = 0 orthoc-C3H2_He CDMS_38502_C-C3H2
M_parac-C3H2_He asymcs p-c-C3H2 He r48 J, Ka, Kc Chandra & Kegel (2000) 38502-v2*:c-C3H2;υ = 0 parac-C3H2_He CDMS_38502_c-C3H2
M_paraH2CO_He asymes p-H2CO He r41 J, Ka, Kc Green (1991) 30501-v3*:H2CO; υ = 0c paraH2CO_He CDMS_30501_H2CO
M_orthoH2CO He asymes o-H2CO He r40 J, Ka, Kc Green (1991) 30501-v3*:H2CO; υ = 0c orthoH2CO_He CDMS_30501_H2CO
M_paraNH2D_paraH2 asymcs p-NH2D r79 J, Ka, Kc Daniel et al. (2014) 18501-V1 :NH2D;υ = 0e paraNH2D_paraH2 CDMS_18501 _NH2D_para
M_orthoNH2D paraH2 asymcs o-NH2D r79 J, Ka, Kc Daniel et al. (2014) 18501 vl:NH2D;υ = 0c orthoNH2D_paraH2 CDMS_18501_NH2D_ortho
M_paraND2H_paraH2 asymes p-ND2H p-H2 rl6 J, Ka, Kc Daniel et al. (2016) 19501-v3*:NHD2;υ = 0c paraND2H_paraH2 CDMS_19501 _NHD2_para
M_orthoND2H paraH2 asymcs o-ND2H p-H2 rl6 J, Ka, Kc Daniel et al. (2016) 19501-v3*:NHD2;υ = 0c orthoND2H_paraH2 CDMS_19501_NHD2_ortho
M_orthoC H2_paraH2_hyp nltos o-CH2 p-H2 h69 J,N,F,Ka,Kc Dagdigian (2021 ) 14501 vi *:CH2;υ = 0 orthoCH2_paraH2_hyp CDMS_14501_CH2
M_HCO_paraH2_hyp nltos HCO p-H2 h86 J,N,F,Ka,Kc Dagdigian (2020b) 29004 v1:HCO;υ- = 0 HCO_paraH2_hyp JPL_29004_HCO
M_MgCN_He Itos MgCN He f41 J,N Hernández Vera et al. (2013) 50009-vl:MgCN;υ = 0 MgCN_He JPL_50009_MgCN
M_MgNC_He Itos MgNC He f41 J,N Hernández Vera et al. (2013) 50010-vl:MgNC;υ = 0 MgNC_He JPL_50010_MgNC
M_C2H_paraH2_hyp Itos c2h p-H2 h38 j, f, n Pirlot Jankowiak et al. (2023b) 25501-v3*:CCH;υ = 0 C2H_paraH2_hyp CDMS_25501_CCH
M_C 2D_para H2_hyp Itos c2d p-H2 h55 J, F, N Pirlot Jankowiak et al. (2023b) 26501-v2*:CCD;υ = 0 C2D_paraH2_hyp CDMS_26501_CCD
M_C(13C)H_paraH2_hyp Itos c13ch p-H2 h98 J,F,F1,N Pirlot Jankowiak et al. (2023a) 26503-v2*:CC 13 H;υ = 0 C(13C)H_paraH2_hyp CDMS_26503_CC-13-H
M_(13C)CH_paraH2_hyp Itos 13cch p-H2 h98 J,F,F1,N Pirlot Jankowiak et al. (2023a) 26502-vl:C 13 CH;υ = 0 (13C)CH_paraH2_hyp CDMS_26502_C 13-CH
M_C2O_He Itos c2o He 131 J,N Khadri et al. (2022) 40006- vl:C2O;υ = 0 C2O_He JPL_40006_C20
M_C2S He Itos c2s He f61 J,N Godard Palluet & Lique (2023) 56502-vl:CCS;υ = 0 C2S He CDMS-56502_C2S
M_C13CS_He Itos 13ccs He h61 J, F, N Godard Palluet & Lique (2024) 57001 vl:C 13-C; υ = 0 C13CS He JPL-57001_C13CS
M_CC13S_He Itos c13cs He h61 J, f, n Godard Palluet & Lique (2024) 57002-vl:CC-13-S;υ = 0 CC13S_He JPL-57002_CC13S
M_CCS34 He Itos CCS34 He f61 J,N Godard Palluet & Lique (2024) 58001-vl:CCS-34; υ = 0 CCS34_He JPL-58001_CCS34
MC_6H-_paraH2 lpcs C6H- r31 J Walker et al. (2017) 73502-vl*:C6H-;υ = 0 C6H-_paraH2 CDMS_73502_C6H
M_HC3N paraH2 therm lpcs hc3n r38 J Faure et al. (2016) 51501 vl:HCCCN;υ = 0c HC3N_paraH2_therm CDMS_51501_HCCCN
M_HC3N_paraH2_hyp_therm lpcs hc3n p-H2 h61 J, F Faure et al. (2016) 51501 vl:HCCCN;υ = 0c HC3N_paraH2_hyp_therm CDMS_51501_HCCCN
M_HC5N He CS lpcs hc5n He r47 J Bop & Lique (2025) 75503-v2*:HCCCCCN;υ = 0c HC5N_He_CS CDMS_75503_HC5N
M_HC7N He CS lpcs hc7n He r73 J Bop & Lique (2025) 99501-v3*:HCCCCCCCN;υ = 0c HC7N_He_CS CDMS_99501_HC7N
M_HCNH+_paraH2 lpcs HCNH+ p-H2 r30 J Gong et al. (2025) 28504-v3*:HCNH+;υ = 0c HCNH+_paraH2 CDMS_28504_HCNH+
M_HNCCC_paraH2 lpcs HNCCC p-H2 r31 J Bop et al. (2021) 51528-vl*:HNC3;υ = 0c HNCCC_paraH2 CDMS_51528_HNC3
M_HMgNC_He lpcs HMgNC He rl4 J Amor et al. (2021 ) 51527 v1*:HMgNCc HMgNC_He CDMS_51527_HMgNC
M_C3O He lpcs C3O He r31 J Bop et al. (2022b) 52501-v2*:CCCO;υ = 0 C3O_He CDMS_52501_CCCO
M_C3S He lpcs c3s He rll J Sahnoun et al. (2020) 68503-v2:CCCS;w = 0 C3S He CDMS_68503_CCCS
M_C4H-_paraH2 lpcs c4h- p-H2 r30 J Balança et al. (2021) 49509-v3*:C4H;υ = 0 C4H-_paraH2 CDMS_49509_C4H-
M_C5O He lpcs c5o He r31 J Bop et al. (2022b) 76010 v1:C5O;υ = 0 C5O_He JPL_76010_C50
M_C5S He lpcs C5S He r51 J Khadri et al. (2020) 92501-v1 *:C5S;υ = 0 C5S He CDMS_92501_C5S
M_NCCNH+ He lpcs NCCNH+ He rll J Bop et al. (2018) 53519 v1*:NCCNH+;υ = 0 NCCNH+_He CDMS_53519_NCCNH+
M_NaC3N He lpcs NaC3N He r22 J Terzi et al. (2024) 73508-v1*:NaC3N; υ = 0 NaC3N_He CDMS-73508_NaC3N
M_SiC4 He lpcs SiC4 He r29 J Chefai et al. (2024) 76502-vl:SiC4; υ = 0 SiC4 He CDMS-76502_SiC4
M_MgC3N_He lpos MgC3N He r81 J,N Hachani et al. (2024) 74518-vl*:MgC3N;υ = 0 MgC3N_He CDMS-74518_MgC3N

Notes. (a)csv for HF only, to show the result of selection All in matching. (b)(I2=F2=1). (c)mixed hyperfine resolved and hyperfine unresolved.(-Example of usage of the v=0 rate coefficients with v=l spectroscopy. (e)The JPL title should be υ = 0.1. (f)cut in energy at 500cm−1 allows to retrieve only u = 0. (g)hyperfine with 2 nuclear spins (I=I1+I2) that is displayed as IIHN, this QN is non necessary for the matching. (h)In square bracket is the quantum number and its value that has been added in order to allow the matching. (A)J, K, vibInv, rovibsym.

1. Only for CN do we propose a collision both with p-H2 and o-H2. In the case of SiS only the collision with ortho-H2 could be handled as the current algorithm is too slow to handle collision with para-H2. This is an issue that will request attention in the next version.

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