File name: Pandora55s1_QueensNY_20220118_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T111157.6Z 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_20220118_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: 20220118 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 20220118T133013.4Z 8053.562655 300 1 48.83 2 79.04 129.57 94.87 305.95 0.00 1 0.00 1 0 25 5.547e-01 1.004e-02 1.354e-01 1.626e-03 8.163482e-01 8.893927e-04 9.332640e-03 -6.000000e+00 3.257178e-01 223.87 -2.00 3.51 -2.00 321.11 0.00e+00 5.492733e-03 4.121968e-04 3.873243e-03 -6.000000e+00 1.459831e-02 275.32 -2.00 20.00 -2.00 320.64 0.00e+00 5.070 0.002 302.00 328.00 3 5.9157e-01 2.8515e-03 6.9688e-02 -6.0000e+00 8.0383e-01 1.3356e-01 4.0983e-03 5.2840e-02 -6.0000e+00 8.7625e-01 -1.2446e-01 4.5681e-03 2.3600e-02 -6.0000e+00 5.1929e-01 4.0821e-02 2.1818e-03 9.0422e-03 -6.0000e+00 2.1774e-01 7.7430e-04 -2.4632e-03 4.3530e-05 9.8852e-05 -6.0000e+00 1.6987e-02 3.3733e-03 -8.6391e-05 12 8 8 10 0 0 68.92 22.70 0.26 0.00337 -0.01514 193 36 1 5 0 252.980 25.58 20.02 22.70 5.84 29.7 1008.61 -120597 -148068 900000 -284540 900000 -143611 -189781 900000 -124672 -73989 -235695 -118776 -214392 -162623 26821 -16945 -103544 -85726 52533 26460 70234 -65847 3679 -81193 -5626 -59178 145954 -43758 -20987 -55769 -23211 8614 -23108 -6262 -15874 58444 -23392 -5662 3053 11539 -5417 6012 -5195 -3621 1797 8020 3048 6088 13394 6998 8287 2531 2870 5851 8010 4318 2998 3042 1904 2860 800 6740 2431 1744 3142 739 3435 950 3656 1567 505 -40 1493 -769 1216 -721 1703 2503 702 438 -9 1071 -1827 -761 -2068 -1451 -1852 -869 -974 -386 -159 122 1322 907 1092 722 272 357 -244 -889 -379 -196 422 1163 -448 -1558 -915 -841 -528 395 -482 -737 -433 79 149 708 1103 948 488 -532 -729 -280 9 80 125 -1 506 1711 795 110 293 142 532 314 80 -438 -189 97 -522 -612 -137 -27 266 92 -266 -535 900000 -4417 900000 -544 -1204 900000 -527 -209 -3501 -680 -3936 -2429 90 -106 -1754 -1480 269 179 341 -1201 35 -1829 -69 -1259 463 -883 -346 -1350 -515 175 -744 -192 -554 1019 -923 -216 131 551 -339 375 -390 -282 137 593 247 506 1112 676 884 310 396 867 1260 748 548 564 351 511 146 1243 507 422 840 213 974 284 1148 545 201 -17 646 -329 472 -258 570 813 250 175 -4 574 -1101 -497 -1459 -1038 -1404 -680 -775 -300 -118 88 901 620 804 590 252 373 -282 -1072 -453 -225 446 1168 -457 -1633 -1008 -948 -643 515 -698 -1152 -698 129 237 1106 1667 1448 779 -871 -1217 -456 15 122 190 -2 715 2433 1171 180 514 269 1054 646 171 -979 -441 225 -1228 -1426 -313 -59 554 190 SS 20220118T133618.5Z 8053.566881 303 1 8.65 2 78.15 130.71 95.77 306.95 0.00 1 0.00 1 0 25 5.038e-01 9.920e-03 1.962e-01 3.479e-03 7.696404e-01 1.868330e-03 8.731105e-03 -6.000000e+00 2.934812e-01 223.87 -2.00 3.51 -2.00 320.82 0.00e+00 4.505745e-03 7.989774e-04 1.967356e-03 -6.000000e+00 1.298144e-02 275.32 -2.00 20.00 -2.00 320.34 0.00e+00 4.721 0.002 302.00 328.00 3 7.6046e-01 5.7769e-03 6.2747e-02 -6.0000e+00 7.2377e-01 1.2326e-01 7.8755e-03 4.3628e-02 -6.0000e+00 7.8826e-01 -1.0331e-01 8.4292e-03 2.1288e-02 -6.0000e+00 4.6959e-01 3.1750e-02 4.1182e-03 8.1410e-03 -6.0000e+00 1.9758e-01 9.4638e-04 -2.1013e-03 9.3542e-05 8.6810e-05 -6.0000e+00 1.5046e-02 3.0089e-03 -1.8176e-05 12 9 9 12 1 1 97.73 22.71 0.20 0.00301 -0.01278 30 34 1 5 0 273.300 25.58 19.99 22.71 6.28 29.6 1008.59 -217877 -53750 900000 -204641 -144290 -135983 -199939 -28689 -131663 -124427 -175733 -133063 -128383 -169932 145091 -41694 -56912 -80115 37750 -1325 30800 -44638 -16886 -36478 -40655 -12240 14347 3875 -37337 -32587 -32609 11236 -12955 -21105 5480 18385 -2827 -12956 10656 -387 -4878 -3392 -4386 -2003 1670 12808 765 6282 1628 5603 2279 6548 -121 8819 8090 2179 4126 187 2421 1760 3604 3507 4318 47 3916 1060 4514 -94 3950 1786 716 -590 566 -376 -1328 1346 666 1237 -335 157 580 -485 -1776 -1973 -1675 -1507 -1770 -730 -994 -1050 -94 -354 803 1432 1069 1032 -24 1404 -582 -399 -553 120 275 316 -247 -1104 -340 -832 17 240 -488 -824 57 -252 -107 501 1389 1197 668 -283 -839 -241 -205 421 -295 263 479 1845 748 -425 108 24 368 145 330 -535 -134 80 -519 -556 -101 -58 180 293 -2125 -182 900000 -2473 -979 -830 -2289 -97 -1042 -1013 -2459 -1411 -1661 -4205 492 -504 -953 -1937 333 -17 327 -965 -286 -812 -1035 -252 234 71 -1045 -940 -1048 307 -512 -1015 208 647 -122 -714 566 -28 -403 -307 -431 -201 167 1176 82 670 194 695 324 958 -21 1564 1563 473 914 44 545 390 786 817 1126 14 1240 361 1491 -33 1438 716 327 -294 285 -185 -613 547 262 470 -138 71 312 -294 -1184 -1439 -1245 -1187 -1476 -628 -871 -906 -77 -272 605 1064 853 901 -24 1530 -705 -500 -689 143 306 325 -256 -1218 -393 -988 22 327 -704 -1279 92 -416 -172 790 2105 1829 1068 -463 -1410 -395 -332 649 -443 391 686 2655 1109 -696 188 45 711 290 703 -1188 -303 183 -1179 -1285 -224 -123 366 595 SS 20220118T134057.0Z 8053.570104 306 1 1.90 2 77.49 131.59 96.45 307.73 0.00 1 0.00 1 0 25 4.410e-01 1.865e-02 3.300e-01 1.173e-02 7.419673e-01 6.458362e-03 8.471006e-03 -6.000000e+00 2.631800e-01 223.87 -2.00 3.51 -2.00 320.67 0.00e+00 2.009026e-03 2.650453e-03 6.338626e-04 -6.000000e+00 1.258848e-02 275.32 -2.00 20.00 -2.00 320.18 0.00e+00 4.489 0.002 302.00 328.00 3 1.5299e+00 1.9607e-02 5.8976e-02 -6.0000e+00 6.5053e-01 1.3546e-01 2.6164e-02 3.9138e-02 -6.0000e+00 7.1135e-01 -1.2385e-01 2.7044e-02 2.0385e-02 -6.0000e+00 4.1875e-01 4.6695e-02 1.3319e-02 6.2976e-03 -6.0000e+00 1.7448e-01 5.5727e-04 -2.7515e-03 3.2768e-04 8.0966e-05 -6.0000e+00 1.3763e-02 3.9385e-03 -7.8773e-05 12 9 9 12 1 1 999.00 22.70 0.30 0.00394 -0.01674 2 16 1 5 0 575.100 25.58 19.99 22.70 6.45 29.5 1008.97 -167576 900000 61788 900000 -8413 900000 -129460 900000 900000 -181017 -51400 -180427 -32565 -198644 900000 -75690 -3542 -38050 900000 124363 -11596 33429 -82680 69416 -83360 900000 -26132 900000 -30201 -30620 -17749 3711 22973 -18527 149495 10363 125609 -28184 38776 -18107 -1743 1431 8177 4534 899 40555 -8053 26484 11102 20736 3922 7400 1601 13026 13626 6863 7563 1088 21057 -2461 9852 1278 14245 -3461 6247 -4810 1727 3428 138 6410 -4737 4897 -3300 501 867 2688 -2012 -393 49 -664 -200 1521 -1219 -2242 3176 -4272 -1246 -3207 -310 -4138 -772 -414 -1685 2580 -244 710 -2452 1299 57 -1400 -1181 510 852 -252 1789 -1285 1190 319 2341 -1326 -696 -610 44 -133 -771 1535 1186 2769 -152 992 -1301 373 -1070 138 -274 1227 547 1031 -835 232 992 -630 1179 -302 425 -1090 29 -509 291 -681 -852 -224 528 698 -1914 900000 706 900000 -96 900000 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