File name: Pandora55s1_QueensNY_20230610_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T114348.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20230610_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20230610 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20230610T112314.4Z 8561.474473 207 1 49.90 2 70.03 76.36 51.54 190.16 0.00 1 0.00 1 0 25 7.391e-01 7.022e-02 9.687e-02 3.144e-03 4.394167e-01 1.665205e-03 6.715159e-03 -6.000000e+00 4.489993e-01 232.62 -2.00 3.51 -2.00 319.15 0.00e+00 4.414696e-02 4.173569e-04 3.456790e-03 -6.000000e+00 1.992485e-02 286.22 -2.00 20.00 -2.00 318.43 0.00e+00 2.896 0.000 302.00 328.00 3 4.3489e+00 4.6504e-03 3.8418e-02 -6.0000e+00 1.1277e+00 4.8122e-01 5.2309e-03 4.1476e-02 -6.0000e+00 1.2177e+00 -6.9704e-01 3.2837e-03 2.3137e-02 -6.0000e+00 7.2220e-01 3.4596e-01 1.7405e-03 3.1736e-02 -6.0000e+00 3.0098e-01 1.7377e-04 -2.4361e-03 9.0421e-05 4.0936e-04 -6.0000e+00 2.2440e-02 9.9214e-03 0.0000e+00 12 9 8 11 8 0 -11.88 22.66 0.36 0.00992 -0.00838 13 2 1 5 0 3838.050 26.00 20.00 22.66 23.12 34.6 1069.74 119596 175164 900000 157840 266415 430335 166312 900000 150036 97330 39602 54241 54702 75480 293620 138748 99916 -95185 208824 171549 177155 132042 113213 52531 59217 33199 124386 36279 27249 40715 58524 86757 71394 58140 70283 94248 46972 31998 44690 34059 10205 17638 3700 11927 19687 36113 25692 45370 38266 41031 30236 26022 19827 29599 21217 7662 6714 -3671 -3269 -6226 -1722 5856 7745 4615 13186 4475 13622 6683 4849 2590 -3326 -1517 -3042 -7751 -4420 -7672 -7112 -1989 -5053 -4699 -3738 1107 -2415 -4543 -7611 -6280 -8365 -6860 -6804 -5009 -3864 -4102 -3850 -4476 -6359 -4570 -4770 -1945 -408 -314 1462 1259 837 1629 -167 -2432 -1541 -1792 664 1986 1610 -352 1323 266 -724 -42 353 2067 1754 1988 1355 2775 4022 4572 2681 2118 2612 3313 2510 2064 3156 3284 2709 1632 1155 -697 -176 -1020 -1877 -2737 -1964 -2474 -2533 -3224 5586 5941 900000 6744 3677 1319 4071 900000 3164 2970 1880 2268 2785 4305 2898 7299 8679 -50816 7604 9122 8813 9397 8565 6060 5552 3530 5315 3514 3006 4403 6297 8648 9492 9333 9931 9976 7405 5944 7915 7065 2742 4594 1140 3645 5966 10053 8210 12668 11626 12359 10264 9578 8060 11393 8834 3497 2992 -1722 -1488 -2916 -811 2806 4046 2721 7730 2854 7815 3894 2858 1645 -2377 -1121 -2300 -5943 -3146 -5247 -4497 -1152 -3062 -3098 -2754 871 -2099 -4201 -7442 -6328 -8906 -7507 -7583 -5524 -4138 -4199 -3699 -4133 -5983 -4539 -5223 -2310 -521 -420 1942 1603 1005 1860 -194 -2977 -1958 -2369 901 2815 2421 -561 2129 428 -1131 -62 510 2970 2600 3066 2166 4442 6300 6996 4043 3118 3721 4594 3539 3065 4953 5383 4599 2842 2072 -1302 -337 -1995 -3715 -5449 -3837 -4713 -4672 -5843 SS 20230610T112925.7Z 8561.478770 210 1 50.37 2 68.88 77.27 51.73 192.05 0.00 1 0.00 1 0 17 2.059e-01 1.514e-02 4.456e-02 2.852e-03 4.541856e-01 1.527617e-03 5.321257e-03 -6.000000e+00 1.256714e-01 232.62 -2.00 3.51 -2.00 319.06 0.00e+00 1.645453e-03 3.760549e-04 4.430258e-04 -6.000000e+00 5.647145e-03 286.22 -2.00 20.00 -2.00 318.30 0.00e+00 2.749 0.000 302.00 328.00 3 4.5153e+00 4.2626e-03 3.6885e-02 -6.0000e+00 3.1529e-01 4.2107e-02 4.9411e-03 2.4461e-02 -6.0000e+00 3.4038e-01 -1.0997e-02 3.6131e-03 1.1751e-02 -6.0000e+00 2.0155e-01 1.1800e-05 1.8800e-03 3.7041e-03 -6.0000e+00 8.4002e-02 2.0116e-04 -1.1369e-03 8.7210e-05 4.0053e-05 -6.0000e+00 6.2551e-03 3.3159e-03 0.0000e+00 12 9 8 11 32 0 39.40 22.66 0.08 0.00332 -0.00523 14 3 1 5 0 3597.670 26.00 19.97 22.66 23.47 34.6 1071.94 -63399 -34434 900000 -54311 116770 900000 51276 900000 59224 -1218 -28659 -4349 -24119 -7526 101376 21495 -19926 -55803 84561 51569 2826 18197 17061 -16253 1051 -4449 -16655 2597 -5168 -5952 -254 12198 6160 -13288 2306 30490 -4597 -7881 5596 7028 -3570 6488 -5525 -538 287 9695 -3401 10219 2820 7262 876 -104 -2305 -1027 6666 2962 -3890 2382 5326 421 1420 4422 841 -2610 2240 -4019 3910 397 1708 2333 -2006 1454 1480 -1415 -2850 -765 1312 -873 755 -812 -1521 -2605 -453 -840 -2400 -912 -2409 33 -1586 490 314 244 -12 1272 944 942 -1080 60 -194 -908 135 -226 343 1032 1416 -321 -21 -1196 500 1598 268 -988 695 194 -469 330 -473 1780 179 -227 -983 -113 -129 -156 54 -196 -48 912 -72 -605 965 849 865 176 472 -272 349 271 -498 -731 -425 -477 -65 65 -2257 -1087 900000 -2231 951 900000 744 900000 985 -38 -1211 -156 -1172 -373 2201 1128 -1707 -7166 3169 2777 248 1411 1358 -1849 109 -514 -2206 286 -594 -686 -29 1417 852 -2356 360 3600 -769 -1519 1126 1638 -1032 1863 -1847 -177 95 2999 -1182 3183 942 2390 319 -41 -993 -466 2994 1417 -2025 1193 2594 210 708 2234 469 -1615 1408 -2672 2370 241 1047 1528 -1484 1112 1160 -1124 -2204 -550 862 -552 472 -548 -1147 -2175 -403 -790 -2383 -936 -2613 36 -1801 547 342 254 -12 1196 895 946 -1192 71 -249 -1216 180 -289 413 1190 1647 -393 -27 -1587 681 2257 403 -1563 1110 309 -725 487 -680 2519 263 -347 -1549 -178 -201 -239 81 -286 -68 1253 -101 -888 1488 1368 1438 299 827 -495 654 517 -963 -1420 -814 -891 -118 115 SS 20230610T113542.4Z 8561.483130 213 1 50.42 2 67.72 78.19 51.96 193.95 0.00 1 0.00 1 0 25 1.360e-01 1.363e-02 2.442e-02 2.612e-03 4.361549e-01 1.389846e-03 5.076780e-03 -6.000000e+00 8.271445e-02 232.62 -2.00 3.51 -2.00 318.83 0.00e+00 2.337273e-03 3.196003e-04 2.188669e-04 -6.000000e+00 3.666072e-03 286.22 -2.00 20.00 -2.00 318.06 0.00e+00 2.615 0.000 302.00 328.00 3 4.5019e+00 3.8464e-03 3.5153e-02 -6.0000e+00 2.0773e-01 5.6456e-02 4.4179e-03 2.3290e-02 -6.0000e+00 2.2422e-01 -2.0692e-02 3.1008e-03 1.1274e-02 -6.0000e+00 1.3300e-01 3.5052e-03 1.6131e-03 3.9164e-03 -6.0000e+00 5.5502e-02 2.3574e-04 -5.7629e-04 7.9579e-05 4.1446e-05 -6.0000e+00 4.1263e-03 2.3041e-03 0.0000e+00 12 9 8 11 32 0 -34.22 22.66 0.75 0.00230 -0.00203 15 3 1 5 0 3360.750 26.00 19.97 22.66 23.81 34.6 1073.41 -57331 -50179 900000 -52641 -998 40267 -22583 900000 4035 5723 -36250 -11721 23920 -22591 51886 34053 -19351 -30520 47604 21179 27796 1656 7510 -18302 -861 -4298 41757 -3691 -6773 -7799 -3810 12466 -961 -10245 -1451 3593 -4295 -1808 2439 4169 -4716 1592 -6355 -2944 -703 6056 -3283 7440 2400 4335 907 533 -3456 7114 3966 1447 4112 911 2657 377 626 3280 1974 -1966 2016 -3284 3019 -545 1782 394 -1419 423 840 -1838 1950 -1225 666 2821 767 -844 -2357 -533 -1076 -876 -2758 -756 -2217 -905 -1733 -630 54 -303 254 815 915 636 60 654 275 -702 -211 -546 90 1505 859 -569 -371 -1106 365 1031 641 -743 68 -70 -580 -84 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