File name: Pandora55s1_QueensNY_20211117_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T105145.1Z 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_20211117_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: 20211117 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 20211117T123851.2Z 7991.526981 249 1 49.59 2 81.93 123.95 116.67 314.26 0.00 1 0.00 1 0 25 7.947e-01 2.252e-02 2.362e-01 4.443e-03 8.028945e-01 2.598797e-03 9.006882e-03 -6.000000e+00 4.810728e-01 223.24 -2.00 3.51 -2.00 321.68 0.00e+00 8.418956e-03 1.454218e-03 4.909841e-03 -6.000000e+00 2.584421e-02 280.33 -2.00 20.00 -2.00 321.19 0.00e+00 6.670 0.005 302.00 328.00 3 8.6564e-01 9.4738e-03 8.5778e-02 -6.0000e+00 1.1945e+00 3.5465e-01 1.3852e-02 6.4518e-02 -6.0000e+00 1.3141e+00 -5.0357e-01 1.4417e-02 2.3947e-02 -6.0000e+00 7.6876e-01 2.0802e-01 6.5846e-03 1.2609e-02 -6.0000e+00 3.2536e-01 1.3511e-04 -3.2784e-03 1.3033e-04 1.1194e-04 -6.0000e+00 2.4943e-02 2.9392e-03 -1.4760e-04 12 8 8 10 0 0 36.25 22.70 0.51 0.00294 -0.02170 66 12 1 5 0 751.160 25.58 20.00 22.70 10.76 29.6 967.93 900000 900000 900000 -286145 900000 900000 -210613 900000 900000 900000 -245655 59791 -213057 -203976 900000 411376 -157444 900000 900000 900000 900000 261220 900000 -60561 2604 -30579 900000 199175 1274 -96194 32855 86800 23147 -27220 7797 900000 4827 11669 245174 89655 25319 60805 -17630 14940 34204 230223 -12587 109664 52695 62582 20917 15456 904 59584 49574 24937 29689 31768 38336 13226 12386 36684 15999 -122 26811 -1538 23972 -2408 10787 7832 -2510 2469 13598 -2155 18693 3269 6838 15253 2282 2428 -1805 5412 913 1863 -5819 -1100 -4715 -1345 -4200 -742 -1140 -2355 -2068 -91 -623 -279 -3593 -812 -859 -2401 -537 -427 -55 2557 59 -1478 -1646 -1263 -137 1352 40 -2876 -919 -339 -627 -120 1231 1616 235 -125 -740 53 1683 2965 -273 843 332 1402 763 -559 200 812 1054 1274 646 -108 134 -159 -574 -1125 -287 -557 283 -596 900000 900000 900000 -8523 900000 900000 -2711 900000 900000 900000 -5816 258 -5296 -6155 900000 1777 -5745 900000 900000 900000 900000 1128 900000 -1210 30 -505 900000 860 16 -3302 386 744 443 -936 195 900000 126 322 1059 1650 986 1856 -1198 781 1530 1593 -929 2670 2342 2738 1490 1298 97 4029 3941 2614 3089 3258 3626 1544 1462 3678 2180 -22 4190 -327 4057 -532 2255 1888 -743 748 3780 -672 4504 831 1548 3129 565 692 -635 2058 408 896 -3173 -608 -2833 -816 -2663 -452 -673 -1338 -1122 -49 -357 -181 -2760 -699 -831 -2512 -555 -417 -49 2088 49 -1313 -1543 -1241 -143 1535 51 -4107 -1366 -509 -929 -172 1717 2272 344 -191 -1165 82 2482 4201 -388 1155 446 1850 1062 -870 343 1510 2075 2626 1405 -247 318 -386 -1407 -2751 -681 -1264 606 -1259 SS 20211117T125719.3Z 7991.539807 255 1 48.79 2 79.09 127.31 118.94 318.48 0.00 1 0.00 1 0 25 3.388e-01 7.940e-03 1.082e-01 1.478e-03 6.522373e-01 7.859053e-04 7.573974e-03 -6.000000e+00 1.968840e-01 223.24 -2.00 3.51 -2.00 320.63 0.00e+00 2.935094e-03 3.257158e-04 1.815394e-03 -6.000000e+00 8.910365e-03 280.32 -2.00 20.00 -2.00 320.06 0.00e+00 5.092 0.002 302.00 328.00 3 5.9248e-01 2.4314e-03 6.1556e-02 -6.0000e+00 4.8404e-01 6.4788e-02 3.1758e-03 3.6961e-02 -6.0000e+00 5.2697e-01 -5.3214e-02 3.1300e-03 1.7535e-02 -6.0000e+00 3.1502e-01 1.2185e-02 1.5485e-03 6.1823e-03 -6.0000e+00 1.3329e-01 9.3420e-04 -2.2537e-03 4.2249e-05 6.8358e-05 -6.0000e+00 1.0120e-02 2.4542e-03 -9.9124e-05 11 8 0 10 0 0 -4.79 22.70 0.24 0.00245 -0.01448 194 37 1 5 0 251.430 25.58 20.00 22.70 13.15 30.1 981.74 -116246 689 900000 -149953 -70917 -100016 -106714 191473 -38863 -95787 -111700 -73599 -88378 -88429 24960 -27652 -48272 -68646 30690 -1628 -4811 -13843 -13221 -8899 -19232 -15845 6788 -13662 -20571 -26548 -2964 -2569 -469 -17748 -2486 15773 -4479 -4437 6933 -493 -3184 1622 -5555 -1145 -886 6595 -2592 3432 2004 5640 118 2167 504 4514 3803 920 2979 826 1914 -1056 1528 3393 2204 -118 1692 696 3086 1308 2562 2107 -277 39 254 -789 26 -64 444 2159 1360 393 153 -43 -1462 -1458 -1562 -1534 -1442 -1007 -633 -593 28 130 431 1751 1071 1104 192 911 -180 -669 -277 -559 403 1176 -75 -1376 -742 -962 -85 172 136 -882 -134 -3 -37 827 1010 1095 286 -452 -894 -466 -3 -102 -5 246 613 1394 866 -1 263 -50 274 385 198 -486 -63 -32 -514 -464 -102 6 58 227 -862 2 900000 -2100 -431 -793 -956 276 -246 -1095 -1622 -826 -1420 -1839 213 -490 -1223 -2237 436 -34 -109 -351 -344 -239 -628 -537 189 -467 -704 -1016 -110 -107 -22 -1121 -138 722 -264 -302 514 -45 -342 184 -723 -149 -118 833 -369 476 295 854 21 416 103 973 888 233 770 221 502 -280 398 922 679 -40 613 262 1123 487 1001 931 -134 20 135 -412 13 -30 189 868 578 192 84 -28 -1010 -1096 -1254 -1249 -1244 -905 -577 -534 24 110 341 1342 871 962 186 1011 -217 -829 -355 -668 452 1228 -81 -1584 -860 -1184 -112 237 201 -1386 -219 -4 -58 1280 1508 1645 452 -728 -1492 -768 -6 -161 -7 362 903 1998 1305 -1 461 -92 519 768 407 -1033 -139 -71 -1153 -1036 -226 13 119 452 SS 20211117T130336.8Z 7991.544176 258 1 48.58 2 78.15 128.48 119.68 319.97 0.00 1 0.00 1 0 25 1.857e-01 6.871e-03 5.397e-02 1.206e-03 6.099581e-01 6.340312e-04 7.198244e-03 -6.000000e+00 1.079023e-01 223.24 -2.00 3.51 -2.00 320.32 0.00e+00 2.074093e-03 2.375004e-04 1.677414e-03 -6.000000e+00 4.820374e-03 280.32 -2.00 20.00 -2.00 319.73 0.00e+00 4.719 0.002 302.00 328.00 3 6.3106e-01 1.9004e-03 5.7053e-02 -6.0000e+00 2.6527e-01 4.7802e-02 2.3994e-03 3.3983e-02 -6.0000e+00 2.8880e-01 -2.4612e-02 2.2635e-03 1.6107e-02 -6.0000e+00 1.7254e-01 -1.2771e-03 1.1420e-03 5.1268e-03 -6.0000e+00 7.2742e-02 1.3344e-03 -2.2028e-03 3.5069e-05 6.3774e-05 -6.0000e+00 5.5381e-03 2.0527e-03 -9.3964e-05 11 8 0 10 0 0 6.64 22.70 0.25 0.00205 -0.01450 225 43 1 5 0 215.880 25.58 20.00 22.70 14.07 30.0 985.31 -53597 -26693 31784 -103619 -58000 -25632 -87528 6329 -35188 -50863 -75045 -49081 -48086 -48036 16475 -17696 -29299 -24771 17929 -288 -3894 -9998 -10478 -9895 -9691 -11670 5756 -4787 -11678 -12662 -1368 344 -1714 -9356 -3619 9961 -3218 -4770 3479 -825 -3134 -2586 -3227 -1971 -465 2951 -1747 1938 1265 2705 939 1119 1021 2812 2555 1771 1811 307 788 -403 1498 2622 2345 -46 694 149 1779 856 1831 1379 -408 -149 -599 -1042 -145 -88 669 1550 1481 493 -301 -321 -1518 -1528 -1455 -1313 -1038 -743 -707 -593 218 422 537 1531 1481 1249 597 881 -244 -538 -375 -143 293 1144 -56 -1174 -537 -811 -5 96 -85 -526 -112 42 63 801 1018 1019 221 -472 -1039 -505 -314 -233 8 -22 475 1434 939 27 345 -73 361 278 300 -559 -99 71 -524 -497 -109 54 190 247 -338 -154 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