File name: Pandora55s1_QueensNY_20240324_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240405T150501.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240324_L1_smca1c17d20220526p1-8.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: 20240324 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: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20240324T113507.4Z 8849.482725 241 1 24.06 2 82.50 94.21 100.46 283.01 0.00 1 0.00 1 0 17 7.796e-01 2.960e-02 3.133e-01 8.131e-03 1.039640e+00 4.984464e-03 1.112701e-02 -6.000000e+00 4.834212e-01 226.95 -2.00 3.51 -2.00 322.11 0.00e+00 5.445814e-03 2.842027e-03 4.328962e-03 -6.000000e+00 2.322449e-02 278.13 -2.00 20.00 -2.00 321.69 0.00e+00 7.107 0.006 302.00 328.00 3 4.3916e-01 1.8732e-02 9.6206e-02 -6.0000e+00 1.2076e+00 1.2281e+00 2.5790e-02 7.3527e-02 -6.0000e+00 1.3201e+00 -1.6265e+00 2.3792e-02 3.1579e-02 -6.0000e+00 7.7390e-01 6.5873e-01 1.0917e-02 1.2605e-02 -6.0000e+00 3.2449e-01 8.9027e-05 -1.5700e-03 2.2092e-04 1.5814e-04 -6.0000e+00 2.5609e-02 2.1600e-02 0.0000e+00 12 9 9 12 5 1 51.69 22.56 0.37 0.02160 0.00980 26 11 1 5 0 890.870 25.90 20.02 22.56 5.01 34.8 1006.01 -86686 900000 -163272 186700 900000 -48192 900000 900000 900000 -157132 -105641 -133537 -58696 900000 900000 -30165 285379 900000 900000 900000 162547 900000 -89662 85496 4684 900000 8596 -40723 -65174 99783 900000 -20436 160950 120924 900000 -3147 -1709 900000 900000 21784 250388 49523 43206 71398 900000 29343 900000 267239 133137 81578 65630 27516 273559 263448 88144 110860 100612 129464 52116 44400 134108 27422 9232 81231 9329 49816 9361 20774 27735 23020 30271 42922 6746 46916 15412 19642 32616 4253 3712 -4477 23625 6285 5956 -2009 1108 -5022 -2267 -4616 -709 1786 -3657 2343 22 -1221 -3302 -4861 -4808 -3199 -3476 -1829 -3888 -711 3592 -555 -1572 -4848 -2742 -2513 1804 -378 -3850 -1123 -1824 -1888 -1475 1046 763 162 651 -455 1160 2611 5594 2019 375 1772 1397 1193 -848 151 2131 799 1488 511 -297 435 640 -186 -645 -577 -681 -214 -2508 -2304 900000 -8529 1475 900000 -599 900000 900000 900000 -5748 -2561 -5081 -1393 900000 900000 -926 2254 900000 900000 900000 1284 900000 -4684 855 103 900000 167 -1224 -2566 932 900000 -877 1316 1450 900000 -115 -67 900000 900000 1015 1978 1963 1837 2299 900000 1396 900000 2111 2771 3050 3169 2101 2161 2456 4589 4766 4725 4450 3497 3099 4123 2551 1158 5855 1397 5219 1470 3157 4427 4274 5593 7147 1501 6587 2593 2884 4149 762 780 -1220 5847 2086 2167 -836 471 -2350 -1073 -2257 -329 779 -1595 933 9 -557 -1783 -3131 -3625 -2706 -3209 -1685 -3450 -555 2477 -389 -1158 -3872 -2274 -2266 1754 -427 -5029 -1550 -2635 -2735 -2096 1433 1061 235 973 -696 1711 3626 7299 2644 487 2224 1748 1589 -1295 260 4015 1642 3231 1184 -730 1101 1642 -481 -1660 -1432 -1599 -467 -5369 SS 20240324T114600.7Z 8849.490286 244 1 50.38 2 80.45 96.01 102.43 284.80 0.00 1 0.00 1 0 25 7.383e-01 1.161e-02 1.467e-01 1.937e-03 9.044654e-01 1.100132e-03 9.729592e-03 -6.000000e+00 4.431353e-01 226.95 -2.00 3.51 -2.00 321.47 0.00e+00 8.071049e-03 5.696587e-04 1.820770e-03 -6.000000e+00 2.007106e-02 278.13 -2.00 20.00 -2.00 321.01 0.00e+00 5.744 0.003 302.00 328.00 3 1.5592e-01 3.7778e-03 7.6916e-02 -6.0000e+00 1.1009e+00 2.5572e-01 5.8053e-03 5.5440e-02 -6.0000e+00 1.1981e+00 -2.6133e-01 6.5358e-03 2.8526e-02 -6.0000e+00 7.0953e-01 9.7336e-02 3.0106e-03 1.5585e-02 -6.0000e+00 2.9743e-01 5.5619e-04 -3.3362e-04 5.0837e-05 1.5403e-04 -6.0000e+00 2.2726e-02 2.1844e-02 0.0000e+00 12 9 8 11 4 0 25.26 22.56 0.25 0.02184 0.01934 198 37 1 5 0 254.390 25.90 19.98 22.56 5.42 34.8 1008.57 -318850 900000 -333795 -228100 -59443 -254573 900000 -213828 -156491 -294749 -217392 -205827 -195317 900000 -76183 -134673 -143887 900000 45283 38873 -33884 3679 -98870 -27356 -63301 900000 -39306 -52097 -106033 -34413 -10645 -30579 -14728 -8885 91400 -31940 -22877 6638 22754 -11692 16345 -12044 -807 5138 26406 -2912 12536 16498 14093 8350 5140 -60 20008 16888 7722 10258 6582 7479 1676 2664 11085 5795 761 6870 197 8230 1867 4676 4135 2702 2792 3047 -1809 2062 -1052 1301 3596 320 -591 -1269 2254 -186 -191 -2030 -906 -2429 -1018 -1370 -286 -511 678 1012 996 378 208 200 55 -593 -506 -755 -559 324 1435 -304 -1212 -995 -1334 -515 -74 -466 -1154 -579 -224 -189 491 872 1181 267 -230 -538 18 719 421 215 8 483 1664 757 -128 487 134 535 179 246 -270 -176 201 -408 -603 -187 -160 80 -9 -3370 900000 -4872 -1199 -112 -1750 900000 -1211 -549 -4530 -1817 -2026 -2423 900000 -514 -1997 -2735 900000 159 152 -279 21 -1706 -251 -888 900000 -456 -709 -2745 -534 -168 -730 -344 -204 823 -956 -716 188 666 -527 623 -661 -42 261 1123 -174 686 943 910 643 439 -6 1865 1769 943 1272 859 952 220 347 1416 889 143 1379 43 1676 419 1109 1122 843 942 1049 -632 640 -304 335 888 89 -195 -510 981 -95 -108 -1181 -553 -1587 -684 -940 -191 -328 406 609 602 236 151 165 53 -632 -585 -880 -606 327 1305 -278 -1175 -1018 -1387 -578 -89 -643 -1730 -891 -352 -294 763 1314 1790 426 -368 -880 28 1122 628 310 12 680 2289 1118 -209 875 261 1084 376 552 -628 -429 482 -990 -1451 -445 -367 170 -20 SS 20240324T115452.0Z 8849.496436 249 1 50.46 2 78.78 97.49 104.02 286.28 0.00 1 0.00 1 0 25 5.217e-01 7.904e-03 9.249e-02 1.170e-03 8.013791e-01 6.411660e-04 8.851752e-03 -6.000000e+00 3.084737e-01 226.95 -2.00 3.51 -2.00 320.96 0.00e+00 4.240749e-03 2.899415e-04 1.144498e-03 -6.000000e+00 1.347829e-02 278.13 -2.00 20.00 -2.00 320.46 0.00e+00 4.962 0.002 302.00 328.00 3 1.0661e-01 2.0356e-03 6.5717e-02 -6.0000e+00 7.6542e-01 1.4631e-01 2.8315e-03 4.4536e-02 -6.0000e+00 8.3104e-01 -1.0390e-01 3.0510e-03 2.3023e-02 -6.0000e+00 4.9407e-01 2.7740e-02 1.4683e-03 1.0193e-02 -6.0000e+00 2.0812e-01 1.3707e-03 -2.0939e-04 3.1219e-05 1.0167e-04 -6.0000e+00 1.5668e-02 2.2779e-02 0.0000e+00 11 9 0 11 4 0 34.18 22.57 0.24 0.02278 0.02121 322 61 1 5 0 156.660 25.90 19.98 22.57 5.79 34.9 1010.50 -213681 -25823 -215771 -178283 -191453 -190547 -66858 -134944 -194390 -163494 -150942 -112788 -129380 -8408 -73508 -75824 -85525 27788 -11596 -29267 -17347 -31798 -36911 -41830 -31396 25199 -27418 -40094 -48256 -18770 -13896 -14330 -20684 -8722 6023 -8660 -16698 2795 1998 -5836 14 -6115 -2126 -229 6830 -2791 5066 2481 4973 2889 3573 1436 6168 5199 2744 3462 579 2277 -520 2069 3305 2923 508 1933 932 2986 1459 1961 2449 808 1103 280 -585 -106 -79 699 1461 887 268 21 184 -1034 -1638 -1463 -1177 -1075 -981 -1002 -479 171 568 578 1639 656 912 231 638 -420 -413 -360 -308 395 1039 -115 -1339 -765 -1162 -140 -102 -216 -732 -341 -201 -141 786 1098 1017 531 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