File name: Pandora55s1_QueensNY_20220425_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T121140.6Z 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_20220425_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: 20220425 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 20220425T110642.4Z 8150.462991 127 1 50.27 2 78.88 81.99 63.48 149.33 0.00 1 0.00 1 0 17 5.520e-01 1.546e-02 1.703e-01 3.425e-03 6.729910e-01 1.929077e-03 7.567125e-03 -6.000000e+00 3.352849e-01 229.43 -2.00 3.51 -2.00 320.95 0.00e+00 7.361895e-03 8.679212e-04 8.848881e-04 -6.000000e+00 1.641889e-02 281.45 -2.00 20.00 -2.00 320.38 0.00e+00 5.002 0.002 302.00 328.00 3 2.1347e+00 6.2485e-03 6.2280e-02 -6.0000e+00 8.3614e-01 1.4104e-01 8.3243e-03 3.8919e-02 -6.0000e+00 9.0966e-01 -1.6458e-01 8.1701e-03 1.9617e-02 -6.0000e+00 5.3745e-01 5.6801e-02 3.9345e-03 1.0851e-02 -6.0000e+00 2.2388e-01 2.0190e-04 -2.1080e-03 1.0197e-04 1.0325e-04 -6.0000e+00 1.7062e-02 3.3468e-03 -7.5836e-05 12 8 8 10 0 0 86.26 22.65 0.34 0.00335 -0.01249 53 10 1 5 0 948.240 25.68 20.00 22.65 14.22 31.2 1069.70 -186183 900000 900000 -212875 900000 900000 -191367 900000 96987 -126275 -145002 -132762 -112500 -67681 900000 10607 -124065 44908 900000 900000 278413 75786 6242 -61237 -39373 -12628 900000 2445 -48708 -62451 -18483 13453 4823 -41831 30474 262393 6155 -13931 39330 30093 -7922 12760 -13045 -1389 -1233 35699 -14590 25455 10818 20404 3981 8563 -3319 17632 21534 3306 16562 4205 11652 -1847 4868 10472 2212 -3007 8741 -3329 6374 1490 4150 2071 -2200 1540 3704 -2489 4490 -315 -21 7112 -374 -1556 -3105 3080 -164 -869 -2653 -1976 -3085 -1959 -1808 -233 -848 -200 -429 1706 -589 749 -1873 -776 -496 -247 -581 -217 38 1396 802 -694 -692 -603 395 996 793 -1542 -317 -350 -730 342 649 2225 273 -267 -898 132 801 1162 -146 -255 661 754 49 -589 498 281 688 909 499 -699 -115 -84 -172 -412 -234 -430 -33 -36 -2529 900000 900000 -4985 900000 900000 -3493 900000 323 -1615 -2368 -2170 -1886 -963 900000 112 -5403 445 900000 900000 929 691 113 -2191 -1226 -321 900000 56 -1802 -2798 -634 411 188 -2756 1047 967 274 -851 1746 1713 -729 1065 -1470 -147 -134 2839 -1897 2378 1210 2229 550 1257 -598 2846 3591 680 3119 895 2298 -406 1020 2211 562 -897 2554 -1115 1937 476 1368 775 -950 687 1654 -1146 1834 -124 -8 2351 -139 -658 -1548 1652 -100 -573 -1879 -1466 -2429 -1586 -1490 -188 -664 -148 -302 1164 -430 599 -1728 -797 -558 -292 -687 -243 40 1360 794 -728 -762 -692 477 1292 1116 -2368 -501 -553 -1130 507 939 3209 412 -421 -1458 211 1246 1758 -217 -371 929 1044 71 -923 845 510 1305 1785 1026 -1513 -255 -190 -394 -942 -522 -927 -68 -73 SS 20220425T111258.4Z 8150.467342 130 1 50.18 2 77.70 82.98 62.88 150.83 0.00 1 0.00 1 0 25 4.229e-01 1.024e-02 1.836e-01 2.323e-03 6.242028e-01 1.262619e-03 7.112944e-03 -6.000000e+00 2.533452e-01 229.43 -2.00 3.51 -2.00 320.55 0.00e+00 4.453350e-03 5.053876e-04 1.505252e-03 -6.000000e+00 1.117682e-02 281.45 -2.00 20.00 -2.00 319.96 0.00e+00 4.559 0.002 302.00 328.00 3 1.9600e+00 3.8951e-03 5.7242e-02 -6.0000e+00 6.3243e-01 5.5557e-02 4.9951e-03 3.6328e-02 -6.0000e+00 6.8587e-01 -5.9421e-02 4.7676e-03 1.6885e-02 -6.0000e+00 4.0674e-01 1.4545e-02 2.3598e-03 7.6817e-03 -6.0000e+00 1.6935e-01 3.9341e-04 -1.7317e-03 6.8338e-05 6.7843e-05 -6.0000e+00 1.2878e-02 2.7365e-03 -6.0985e-05 12 8 8 10 0 0 92.59 22.65 0.35 0.00274 -0.01028 73 14 1 5 0 687.220 25.68 20.00 22.65 14.65 31.2 1071.90 -102613 263857 900000 -170414 113583 62322 -127129 900000 95447 -90905 -107028 -81358 -78883 -48111 900000 -6963 -91786 -22824 48987 120089 20579 15584 -6258 -37959 -20086 -16979 137283 -10916 -6550 -40715 -5168 324 11639 -24770 6828 46940 -2003 -4689 12413 9992 -7117 5940 -10726 273 -3647 14513 -6950 9368 4761 7034 3101 845 1254 3854 9719 -494 6403 -95 4851 -197 3077 4786 1612 -171 2100 -1745 2663 770 529 1859 -1066 -343 1150 -1976 2302 -312 221 2162 1845 -1154 -844 635 -711 -1301 -2198 -1375 -1840 -1040 -1363 18 -648 25 -122 1958 620 1135 -40 918 -256 -301 -219 -288 236 1300 675 -832 -166 -929 93 546 -255 -1194 -274 -162 -441 692 866 1448 57 -122 -1075 -227 432 342 -19 18 473 1008 371 -352 476 3 603 402 230 -509 -15 89 -492 -314 -415 56 50 125 -841 597 900000 -3537 257 141 -1714 900000 216 -1184 -1750 -1162 -1345 -781 900000 -117 -3914 -568 677 895 414 336 -171 -1477 -714 -623 1201 -389 -225 -2016 -208 15 555 -1805 380 1777 -126 -345 934 910 -864 700 -1561 38 -532 1840 -1096 1315 724 1109 548 168 274 890 2276 -132 1676 -27 1294 -54 832 1346 516 -62 802 -704 1021 300 217 837 -543 -185 626 -1082 1155 -148 97 902 805 -575 -480 401 -499 -981 -1755 -1150 -1621 -942 -1259 16 -571 20 -97 1507 503 1000 -39 1003 -307 -378 -273 -342 261 1369 723 -941 -196 -1145 120 749 -377 -1888 -444 -261 -698 1049 1279 2149 89 -196 -1773 -371 689 534 -28 26 684 1432 546 -557 809 5 1129 780 464 -1072 -33 195 -1095 -698 -904 119 101 250 SS 20220425T114211.3Z 8150.487631 142 1 49.59 2 72.18 87.62 60.46 158.10 0.00 1 0.00 1 0 25 2.181e-01 1.099e-02 7.069e-02 2.447e-03 4.459466e-01 1.284781e-03 5.192093e-03 -6.000000e+00 1.298293e-01 229.43 -2.00 3.51 -2.00 319.22 0.00e+00 1.476150e-03 3.295702e-04 4.447251e-04 -6.000000e+00 5.765196e-03 281.45 -2.00 20.00 -2.00 318.53 0.00e+00 3.223 0.001 302.00 328.00 3 3.5809e+00 3.5881e-03 3.9890e-02 -6.0000e+00 3.2367e-01 2.9169e-02 4.1769e-03 2.3685e-02 -6.0000e+00 3.5066e-01 -6.2195e-03 3.1622e-03 1.1478e-02 -6.0000e+00 2.0876e-01 -4.4163e-03 1.6477e-03 3.6304e-03 -6.0000e+00 8.7370e-02 3.3893e-04 -7.9355e-04 7.5017e-05 4.0181e-05 -6.0000e+00 6.5236e-03 5.6177e-04 5.4775e-05 12 8 8 10 0 0 99.88 22.68 0.24 0.00056 -0.00540 32 6 1 5 0 1549.370 25.68 20.01 22.68 15.85 31.2 1079.35 4351 29488 900000 -64477 40579 28563 -32806 215349 -3039 -6253 -36138 -4759 -30137 4476 37263 5636 -33461 8209 30203 24714 20728 4954 9040 -14252 -4101 -9521 33565 -6449 -9464 -10116 -1585 4508 -4839 -10649 -656 23381 -6147 -2491 5722 3077 -5710 55 -6364 -3792 -1685 4956 -4386 1871 3037 1803 2143 -542 -326 3816 4928 1090 4121 802 2124 800 578 4306 -131 -2341 881 -1750 1572 -18 2235 378 -504 111 1338 -1853 2571 -539 1167 2389 881 -475 -1829 142 -1414 -799 -1998 -849 -1989 -821 -1443 -124 -326 38 226 1579 1282 1105 278 287 -249 -631 -799 -223 134 1446 568 116 -234 -608 -267 1068 60 -1106 -315 -556 -94 457 771 1403 314 -155 -807 -559 487 374 -193 -77 296 837 278 -264 601 391 470 540 262 -488 30 257 -332 -532 -436 -337 147 13 80 493 900000 -2705 610 463 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