File name: Pandora55s1_QueensNY_20211119_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T105221.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20211119_L1_smca1c19d20211111p1-8.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: 20211119 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: None First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 20211119T124114.5Z 7993.528640 291 1 49.95 2 81.98 124.61 97.69 303.44 0.00 1 0.00 1 0 25 5.942e-01 2.220e-02 2.138e-01 4.352e-03 8.728979e-01 2.539095e-03 1.012345e-02 -6.000000e+00 3.563144e-01 223.21 -2.00 3.51 -2.00 321.78 0.00e+00 5.188072e-03 1.448143e-03 8.011996e-03 -6.000000e+00 1.799538e-02 280.11 -2.00 20.00 -2.00 321.31 0.00e+00 6.704 0.005 302.00 328.00 3 6.8874e-01 9.4016e-03 9.4159e-02 -6.0000e+00 8.8041e-01 4.5724e-01 1.3961e-02 8.0290e-02 -6.0000e+00 9.6523e-01 -6.2934e-01 1.4591e-02 3.0513e-02 -6.0000e+00 5.6777e-01 2.5872e-01 6.6216e-03 9.8772e-03 -6.0000e+00 2.3801e-01 1.4244e-04 -3.6950e-03 1.2391e-04 1.3492e-04 -6.0000e+00 1.8997e-02 -6.5101e-04 -1.6094e-04 12 8 8 10 0 0 11.47 22.76 0.45 -0.00065 -0.02842 74 14 1 5 0 674.910 25.58 19.99 22.76 10.78 29.7 967.88 -50798 900000 900000 -292332 900000 900000 -134888 900000 900000 -138839 -260745 -81767 -211365 -195179 900000 -34577 -162663 -46326 900000 900000 900000 1908 49692 -69064 -29308 -67010 900000 85611 -78719 -109777 53047 57425 46311 -55768 20588 900000 6771 -10944 900000 86249 19115 58364 -2214 26547 26216 154082 -8083 92442 65993 82598 20837 20050 -3856 48219 56249 33319 47309 37428 47741 5033 15251 42268 23359 2194 22851 777 31548 3962 12743 7645 -1857 6996 13484 1812 14121 4482 10375 17604 1168 3561 -1365 6557 550 14 -4976 -1415 -4179 -489 -3398 -486 -1193 -2505 -2217 1419 -756 -2508 -4437 -1054 -694 -2311 -1038 -1194 179 2606 601 -2107 -2233 -1841 -204 1423 42 -2595 -292 -450 -675 348 1225 1527 -219 -35 -922 -159 870 2674 200 932 1036 1552 637 -818 557 747 1499 1401 434 -711 225 183 -476 -1108 -283 -438 -10 -625 -215 900000 900000 -8328 900000 900000 -744 900000 900000 -1016 -6668 -414 -4797 -4995 900000 -302 -5723 -597 900000 900000 900000 18 293 -1374 -425 -1468 900000 426 -1947 -3910 462 598 646 -2304 419 900000 158 -342 900000 1509 732 1693 -121 1146 1157 2041 -517 2387 2335 2718 1357 1475 -397 3352 3919 3026 3908 3426 3891 590 1615 3664 2707 354 3402 150 4649 772 2457 1741 -516 1926 3570 516 3341 1057 2131 3316 275 948 -452 2354 236 6 -2598 -754 -2403 -283 -2049 -283 -674 -1360 -1153 721 -419 -1612 -3362 -893 -660 -2393 -1068 -1165 158 2097 490 -1834 -2049 -1778 -208 1586 52 -3688 -433 -683 -1015 507 1736 2178 -327 -54 -1468 -248 1294 3802 283 1277 1385 2049 891 -1283 970 1418 3017 2963 974 -1687 550 457 -1194 -2781 -687 -1014 -23 -1335 SS 20211119T125947.7Z 7993.541525 297 1 48.87 2 79.15 127.99 100.44 306.69 0.00 1 0.00 1 0 25 3.882e-01 7.610e-03 1.248e-01 1.530e-03 7.026485e-01 8.198781e-04 8.166281e-03 -6.000000e+00 2.256662e-01 223.21 -2.00 3.51 -2.00 320.82 0.00e+00 3.222935e-03 3.612601e-04 2.611754e-03 -6.000000e+00 1.020152e-02 280.10 -2.00 20.00 -2.00 320.27 0.00e+00 5.117 0.002 302.00 328.00 3 5.6003e-01 2.5955e-03 6.4185e-02 -6.0000e+00 5.5481e-01 6.5647e-02 3.5074e-03 4.2030e-02 -6.0000e+00 6.0396e-01 -4.3967e-02 3.6045e-03 1.9298e-02 -6.0000e+00 3.6101e-01 5.4547e-03 1.7552e-03 6.9405e-03 -6.0000e+00 1.5281e-01 8.8545e-04 -2.3889e-03 4.2793e-05 7.6058e-05 -6.0000e+00 1.1593e-02 -6.7139e-04 -9.3928e-05 11 8 0 10 0 0 32.12 22.76 0.26 -0.00067 -0.01862 201 38 1 5 0 243.080 25.58 20.00 22.76 11.96 29.9 974.16 -57295 -121072 900000 -196753 -51721 -89473 -147905 188142 -91029 -95509 -147053 -90002 -101304 -70130 -1622 -10131 -68784 -16244 49753 -8857 -5501 -33875 -12142 -34101 -18086 -33668 43202 -18444 -27278 -39572 -13688 -4382 -5761 -15629 -5060 28045 -12372 -4659 8705 559 -5667 -1083 -7646 -4691 344 5809 -2654 3779 3327 2773 2345 670 1038 4150 4814 2553 2054 1268 1205 -428 1376 4037 1816 589 1958 -151 2335 869 2643 1891 -214 -199 749 -807 841 -539 1522 2642 1553 517 64 -92 -1273 -1059 -1741 -1218 -1757 -696 -1074 -467 -56 317 874 1273 1596 628 317 516 -189 -428 -370 -238 314 1241 -196 -1114 -1094 -836 -185 228 -89 -493 -159 13 6 718 1105 1030 295 -493 -782 -723 -10 -158 121 24 445 1454 838 -69 257 41 471 285 167 -526 -132 88 -417 -546 -173 -37 239 269 -145 -709 900000 -2600 -166 -411 -1290 281 -585 -712 -1865 -795 -1256 -837 -13 -107 -1429 -244 428 -147 -93 -722 -233 -818 -407 -954 635 -468 -762 -1328 -411 -147 -233 -781 -234 926 -645 -260 519 41 -514 -104 -845 -527 38 620 -318 443 414 372 348 107 185 789 983 565 476 301 283 -100 318 967 499 176 636 -52 783 299 954 775 -96 -96 367 -391 397 -235 592 982 616 238 33 -56 -833 -755 -1333 -987 -1441 -590 -932 -397 -46 254 658 939 1243 531 312 558 -222 -540 -465 -278 346 1261 -203 -1234 -1284 -990 -235 304 -129 -784 -255 20 10 1109 1644 1543 464 -787 -1289 -1177 -16 -247 182 37 647 2053 1247 -111 448 75 929 573 344 -1165 -296 201 -972 -1266 -386 -80 505 550 SS 20211119T130558.8Z 7993.545820 300 1 48.26 2 78.23 129.15 101.33 307.80 0.00 1 0.00 1 0 25 2.654e-01 7.175e-03 9.660e-02 1.196e-03 6.599530e-01 6.321498e-04 7.718969e-03 -6.000000e+00 1.543261e-01 223.21 -2.00 3.51 -2.00 320.50 0.00e+00 2.473059e-03 2.532583e-04 1.961288e-03 -6.000000e+00 6.886636e-03 280.10 -2.00 20.00 -2.00 319.94 0.00e+00 4.750 0.002 302.00 328.00 3 4.9437e-01 1.9307e-03 5.9094e-02 -6.0000e+00 3.7941e-01 5.5600e-02 2.5079e-03 3.7397e-02 -6.0000e+00 4.1298e-01 -3.2229e-02 2.4758e-03 1.7626e-02 -6.0000e+00 2.4671e-01 2.1398e-03 1.2328e-03 6.0030e-03 -6.0000e+00 1.0408e-01 1.3936e-03 -2.0054e-03 3.3783e-05 7.0588e-05 -6.0000e+00 7.9145e-03 -2.1240e-03 -4.9652e-05 11 8 0 10 0 0 94.72 22.75 0.24 -0.00212 -0.01719 261 49 1 5 0 184.880 25.58 20.00 22.75 12.02 29.8 973.80 -51743 -87302 92720 -152762 -50267 -87387 -69027 -26426 -45685 -63489 -118769 -42833 -90643 -46493 -8960 -2602 -49236 15332 4840 -10201 -10262 -16263 233 -21969 -10140 -23216 20372 -15477 -9701 -24114 -4578 -7323 1007 -9257 -5645 8321 -6363 233 2279 2125 -4255 710 -5350 -1631 -422 2657 -3400 716 1718 1554 274 317 1530 2804 2821 605 2071 24 874 757 368 2479 1118 1510 716 984 2518 1470 2412 1417 -408 -246 362 -1257 -23 -165 1308 1462 1529 353 373 -217 -1555 -1153 -1696 -1352 -1094 -651 -804 -284 100 571 576 1666 1194 849 776 604 -298 -588 -24 -449 374 788 -264 -1259 -710 -830 -118 193 -260 -499 -361 81 49 833 1190 960 239 -535 -942 -619 -201 -149 60 115 523 1544 918 -26 393 36 347 366 163 -319 -255 112 -517 -451 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