File name: Pandora55s1_QueensNY_20250123_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20250128T140805.6Z 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 v1.8.70 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20250123_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: 20250123 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 20250123T134750.3Z 9154.574887 244 1 50.32 2 75.79 131.91 68.84 207.18 0.00 1 0.00 1 0 25 4.048e-01 2.602e-02 1.660e-01 4.648e-03 6.430530e-01 2.537267e-03 7.362533e-03 -6.000000e+00 2.443643e-01 224.05 -2.00 3.51 -2.00 320.58 0.00e+00 6.772826e-03 9.841027e-04 5.494116e-04 -6.000000e+00 1.116250e-02 275.31 -2.00 20.00 -2.00 320.08 0.00e+00 3.986 0.001 302.00 328.00 3 3.9673e+00 7.6385e-03 5.2071e-02 -6.0000e+00 6.0614e-01 1.7870e-01 9.7153e-03 3.4932e-02 -6.0000e+00 6.6424e-01 -2.5552e-01 9.1584e-03 1.8327e-02 -6.0000e+00 3.9152e-01 1.1284e-01 4.5600e-03 9.5121e-03 -6.0000e+00 1.6088e-01 8.6718e-05 -1.6409e-03 1.3775e-04 9.6759e-05 -6.0000e+00 1.2409e-02 8.7172e-03 0.0000e+00 12 9 8 11 32 0 99.82 22.62 0.45 0.00872 -0.00361 16 3 1 5 0 3144.530 26.00 20.03 22.62 1.21 34.8 1025.66 -161218 -173534 900000 -197333 63080 900000 8706 900000 44583 -9810 -152456 -106946 -126225 -26069 900000 55745 -81569 900000 900000 900000 2683 50122 102278 -80311 18921 -36180 900000 -29896 -26949 -33196 -18350 71384 12813 38617 21434 900000 -12216 -19608 32527 51536 -10614 24575 -10474 -2054 9738 49407 -5468 49164 29356 28709 5831 5651 -2809 39721 26437 10550 11577 13537 13956 -1546 -6518 19052 4716 -8055 12740 -7117 10690 -2680 2804 4751 1868 4186 6924 -4037 10765 -1022 3471 9713 -2153 -4258 -5080 6639 -3272 445 -5450 -980 -6377 -1988 -4657 -965 -528 -1475 860 1254 25 -32 -3292 -1207 -697 -1340 69 -831 74 2851 1244 223 -1140 -1640 44 -30 -152 206 323 -151 -1130 62 1188 -520 820 533 -1699 465 556 3649 70 1335 -710 1640 48 -351 1675 2030 -572 1331 638 -300 888 73 -292 -1801 -763 -776 -274 -355 -3915 -5671 900000 -8867 286 900000 50 900000 212 -84 -5301 -2648 -4502 -460 900000 692 -4258 900000 900000 900000 83 997 1243 -5663 556 -1860 900000 -1470 -1284 -1741 -944 1869 679 1769 1179 900000 -921 -1765 2125 3313 -1387 2527 -1581 -299 1295 4647 -877 4871 3631 3766 1016 1083 -638 6596 5290 2540 2848 3293 3341 -418 -1850 4498 1399 -2991 4274 -2942 3729 -1047 1089 1992 891 2093 3459 -2175 4824 -469 1412 3581 -913 -2040 -2826 3786 -2248 317 -4304 -784 -5582 -1749 -4260 -852 -450 -1203 653 928 19 -27 -3207 -1296 -815 -1669 86 -982 81 2874 1277 240 -1299 -1958 54 -40 -218 317 516 -242 -1784 94 1731 -769 1233 835 -2773 745 870 5445 104 1919 -1010 2249 68 -538 2749 3541 -1063 2527 1264 -623 1890 159 -643 -3994 -1647 -1614 -544 -691 SS 20250123T140830.4Z 9154.589240 254 1 23.51 2 72.97 136.05 70.76 211.70 0.00 1 0.00 1 0 25 1.830e-01 9.118e-03 5.409e-02 2.349e-03 5.632768e-01 1.222750e-03 6.579964e-03 -6.000000e+00 1.069440e-01 224.05 -2.00 3.51 -2.00 319.60 0.00e+00 2.041280e-03 3.560476e-04 4.696690e-04 -6.000000e+00 4.714436e-03 275.31 -2.00 20.00 -2.00 319.06 0.00e+00 3.364 0.001 302.00 328.00 3 2.7798e+00 3.4275e-03 4.4242e-02 -6.0000e+00 2.6387e-01 5.7368e-02 4.0762e-03 2.9156e-02 -6.0000e+00 2.8707e-01 -3.8686e-02 3.4969e-03 1.4649e-02 -6.0000e+00 1.7102e-01 6.4227e-03 1.8335e-03 4.8368e-03 -6.0000e+00 7.2138e-02 5.7226e-04 -9.4855e-04 6.8503e-05 5.5153e-05 -6.0000e+00 5.4577e-03 7.7744e-03 0.0000e+00 12 9 1 12 1 1 99.61 22.62 0.12 0.00777 0.00065 26 11 1 5 0 870.330 26.00 19.97 22.62 2.38 35.1 1025.48 -37408 -102533 900000 -100131 -21399 -31371 -11283 83821 -18640 -31949 -58634 -19758 -65335 -3498 15055 4683 -31370 27360 17737 14600 -12488 805 5722 -16193 -5566 -15526 34311 -12988 -6281 -18270 -1168 3374 110 -220 -2575 15260 -7414 -4088 1662 5490 -6743 1608 -3031 -1697 -900 4056 -1765 2601 1965 1871 1815 -365 881 4103 3507 1299 2758 1109 1978 -585 -624 3506 1262 408 606 -255 1063 162 1595 1255 421 297 334 -1636 1129 -577 995 670 505 -1120 -645 -199 -2060 -1075 -1751 -632 -1795 -698 -997 -168 134 174 991 1816 928 1278 629 336 -561 -673 -134 -626 122 633 -36 -992 -704 -1190 -90 489 -31 -457 -239 47 -158 540 978 938 460 -169 -806 -345 242 -58 195 86 296 1318 819 -77 697 282 347 360 329 -337 -99 -21 -421 -647 -485 -148 -32 264 -475 -2781 900000 -2928 -291 -450 -140 480 -309 -650 -1619 -415 -2441 -91 405 164 -1729 967 740 663 -754 44 306 -1119 -377 -1224 1765 -1027 -460 -1522 -91 291 11 -25 -299 1487 -916 -551 253 948 -1476 357 -736 -422 -225 991 -458 663 515 512 528 -117 304 1477 1347 529 1145 472 831 -246 -264 1493 592 210 333 -144 581 88 886 759 280 209 240 -1175 761 -370 587 380 292 -710 -456 -155 -1762 -966 -1652 -617 -1839 -732 -1063 -177 137 171 921 1638 859 1265 682 398 -718 -899 -178 -801 146 726 -42 -1200 -884 -1549 -121 691 -47 -724 -388 76 -249 819 1443 1386 696 -265 -1300 -556 382 -90 296 127 426 1851 1175 -117 1127 480 612 651 613 -653 -198 -42 -860 -1322 -976 -290 -61 489 SS 20250123T141405.3Z 9154.593117 257 1 31.45 2 72.24 137.20 71.33 212.88 0.00 1 0.00 1 0 33 1.785e-01 8.744e-03 4.588e-02 2.082e-03 5.432138e-01 1.081299e-03 6.372235e-03 -6.000000e+00 1.043628e-01 224.05 -2.00 3.51 -2.00 319.48 0.00e+00 1.419955e-03 3.024633e-04 5.403227e-04 -6.000000e+00 4.600798e-03 275.31 -2.00 20.00 -2.00 318.93 0.00e+00 3.234 0.001 302.00 328.00 3 2.9778e+00 3.0135e-03 4.2586e-02 -6.0000e+00 2.5750e-01 5.5467e-02 3.5575e-03 2.8080e-02 -6.0000e+00 2.8015e-01 -3.6063e-02 2.9709e-03 1.4031e-02 -6.0000e+00 1.6689e-01 5.4814e-03 1.5625e-03 4.3813e-03 -6.0000e+00 7.0395e-02 5.4434e-04 -7.2813e-04 6.1147e-05 5.1543e-05 -6.0000e+00 5.3262e-03 7.9977e-03 0.0000e+00 12 9 1 12 1 1 99.94 22.62 0.28 0.00800 0.00253 33 10 1 5 0 924.900 26.00 20.04 22.62 2.69 35.1 1025.50 -69849 -78393 900000 -86624 -11836 -5605 -53715 105662 -10649 -34568 -44368 -44613 -39721 -12946 23467 -4605 -18181 15069 17631 16253 -16054 4389 756 -11968 -9028 -5086 25231 -9056 -7227 -13948 -1245 2774 4671 -3845 -2101 9423 -3470 -7047 3512 2945 -2584 -478 -3494 -1499 -1159 2997 -3206 2695 963 4519 493 1199 -705 4776 3054 1640 2354 202 1941 32 -339 2520 1379 -329 1196 -995 1966 571 1213 1432 -322 135 -147 -920 284 -76 269 1215 509 -455 -688 157 -1661 -1321 -1995 -1061 -1529 -906 -743 -332 206 424 1130 1768 1284 1288 409 398 -432 -645 -438 -519 82 755 -362 -983 -340 -1122 -253 475 282 -701 33 131 147 627 820 1035 214 -357 -1054 -416 -186 146 -27 170 277 1453 751 302 521 363 330 296 285 -395 6 141 -373 -727 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