File name: Pandora55s1_QueensNY_20211111_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T105108.5Z 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_20211111_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: 20211111 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 20211111T123228.3Z 7985.522550 68 1 50.60 2 81.65 121.94 152.57 48.26 0.00 1 0.00 1 0 25 5.064e-01 3.642e-02 1.618e-01 6.517e-03 7.079021e-01 3.713098e-03 8.217071e-03 -6.000000e+00 3.034183e-01 223.62 -2.00 3.51 -2.00 321.40 0.00e+00 1.115779e-02 1.811986e-03 1.082858e-03 -6.000000e+00 1.586734e-02 281.03 -2.00 20.00 -2.00 320.87 0.00e+00 6.470 0.005 302.00 328.00 3 1.7582e+00 1.2606e-02 7.4195e-02 -6.0000e+00 7.4734e-01 6.4121e-01 1.6195e-02 3.9451e-02 -6.0000e+00 8.1872e-01 -8.8359e-01 1.3709e-02 2.1154e-02 -6.0000e+00 4.8393e-01 3.6782e-01 6.5417e-03 1.3408e-02 -6.0000e+00 2.0657e-01 6.8749e-05 -2.5955e-03 1.9716e-04 1.8121e-04 -6.0000e+00 1.6200e-02 -2.1502e-03 -8.0620e-05 12 8 8 10 0 0 90.05 22.87 0.43 -0.00215 -0.02165 28 5 1 5 0 1806.650 25.68 20.00 22.87 14.05 29.8 983.93 900000 900000 900000 -153239 900000 900000 -73279 900000 64602 -13868 -82811 -96890 -156893 -83954 900000 39062 -70351 119010 900000 900000 900000 121032 900000 2695 19729 2834 900000 31637 -17296 -69232 24796 202658 43487 -26838 30122 900000 38877 19301 900000 104483 26913 77789 11621 39302 39709 220753 -5499 125207 100915 119012 7572 28899 -2342 96190 77937 39221 61811 38861 54371 13650 32198 37425 29476 3359 39497 -3170 35032 -308 17992 11564 -3021 5146 19920 -4248 28961 219 11340 28943 808 579 -5241 11163 3864 938 -8789 -3322 -7335 -1564 -7394 1803 -2958 -1572 -3634 -1318 -5267 -1997 -8616 -2866 -1599 -4410 107 -1490 -377 3310 883 -1959 -927 -2213 -251 -2596 1867 -3669 193 -867 -1333 -1042 1205 3260 22 1101 -977 94 2305 5698 840 2210 291 1398 1485 -209 1432 1749 1731 1564 1419 -572 688 -266 -553 -1885 -574 -1148 -617 -1186 900000 900000 900000 -10582 900000 900000 -1840 900000 445 -206 -2395 -3424 -11642 -3987 900000 857 -4874 1475 900000 900000 900000 1519 900000 101 636 108 900000 873 -750 -5095 856 1506 1730 -2215 1449 900000 1663 1087 900000 3484 2063 3977 1150 3093 3145 3211 -685 4723 4952 5185 1000 3414 -403 7087 7166 5322 6906 5338 6309 2248 4471 5224 4900 798 7334 -900 6927 -84 4375 3302 -1091 1839 6309 -1630 7638 69 2954 6178 236 192 -2149 4523 1866 502 -5436 -2065 -4965 -1048 -5302 1186 -1958 -975 -2173 -765 -3339 -1377 -7224 -2605 -1608 -4841 113 -1512 -349 2796 766 -1828 -908 -2303 -275 -3165 2422 -5399 290 -1327 -2003 -1514 1678 4509 32 1682 -1555 147 3463 8090 1210 3075 400 1877 2079 -325 2434 3198 3346 3162 3018 -1292 1597 -636 -1332 -4572 -1345 -2591 -1321 -2496 SS 20211111T124846.1Z 7985.533867 73 1 49.10 2 79.07 124.89 150.25 54.13 0.00 1 0.00 1 0 25 2.701e-01 7.933e-03 1.060e-01 1.669e-03 6.096030e-01 8.839221e-04 7.069525e-03 -6.000000e+00 1.573552e-01 223.62 -2.00 3.51 -2.00 320.48 0.00e+00 2.528979e-03 3.505411e-04 1.219724e-03 -6.000000e+00 7.127700e-03 281.03 -2.00 20.00 -2.00 319.89 0.00e+00 5.083 0.002 302.00 328.00 3 8.8661e-01 2.7005e-03 5.9829e-02 -6.0000e+00 3.8709e-01 5.0772e-02 3.4677e-03 3.3411e-02 -6.0000e+00 4.2114e-01 -3.1065e-02 3.3203e-03 1.6217e-02 -6.0000e+00 2.5180e-01 1.8341e-03 1.6557e-03 5.5887e-03 -6.0000e+00 1.0663e-01 7.3984e-04 -1.9786e-03 4.8770e-05 6.3325e-05 -6.0000e+00 8.0677e-03 -2.7855e-03 -6.6519e-05 11 8 0 10 0 0 44.47 22.87 0.27 -0.00279 -0.01765 148 28 1 5 0 331.720 25.68 20.00 22.87 14.89 30.0 989.18 -48799 -49783 900000 -131173 -36578 -55271 -70974 146064 -57823 -66883 -108357 -52262 -102452 -61243 27253 2242 -50246 7735 39734 11465 -5217 -4464 -9645 -25158 -11481 -21935 24422 -20562 -16879 -31127 -5191 3999 -5946 -15451 -5720 20414 -6384 -4692 7224 1615 -4164 -691 -5428 -3827 -303 6671 -2215 2544 3164 4028 446 936 486 4573 4922 1793 2557 2067 2124 -229 1924 3525 2516 488 1590 -797 2378 755 1938 1281 -402 -341 32 -1962 962 -689 1185 2572 1463 626 -95 268 -1296 -1300 -1792 -1181 -1519 -661 -1011 -639 -175 427 630 1174 1200 1159 249 558 -363 -831 -218 -385 371 1126 -88 -1007 -771 -830 117 597 -48 -641 -299 160 -114 612 1156 1253 255 -403 -782 -675 77 157 -84 202 7 1345 760 -192 248 5 191 320 244 -284 -91 56 -461 -474 -169 -67 165 212 -252 -311 900000 -1989 -215 -380 -597 238 -551 -761 -1961 -622 -2354 -1208 291 37 -1532 153 634 255 -141 -123 -288 -927 -406 -911 682 -872 -690 -1505 -222 184 -349 -1086 -376 1043 -437 -360 596 167 -519 -92 -798 -577 -45 956 -351 397 509 679 84 193 111 1089 1249 491 723 594 607 -66 547 1039 825 181 628 -330 944 304 808 593 -209 -189 18 -1109 504 -341 535 1108 657 314 -55 173 -931 -997 -1452 -1004 -1357 -608 -948 -593 -157 364 510 930 983 1036 249 617 -439 -1058 -275 -464 416 1205 -95 -1154 -920 -1033 152 823 -72 -1016 -487 261 -180 936 1719 1871 395 -648 -1294 -1112 124 247 -129 303 11 1922 1121 -306 423 9 359 622 492 -597 -197 123 -1029 -1058 -369 -142 338 425 SS 20211111T125501.0Z 7985.538206 76 1 48.68 2 78.11 126.05 149.31 56.19 0.00 1 0.00 1 0 25 1.779e-01 7.068e-03 3.997e-02 1.237e-03 5.689404e-01 6.469855e-04 6.677864e-03 -6.000000e+00 1.036382e-01 223.62 -2.00 3.51 -2.00 320.15 0.00e+00 2.153509e-03 2.294812e-04 1.117213e-03 -6.000000e+00 4.635251e-03 281.03 -2.00 20.00 -2.00 319.53 0.00e+00 4.703 0.002 302.00 328.00 3 7.3883e-01 1.9056e-03 5.5400e-02 -6.0000e+00 2.5494e-01 4.5967e-02 2.3600e-03 3.0826e-02 -6.0000e+00 2.7737e-01 -2.9362e-02 2.1396e-03 1.4853e-02 -6.0000e+00 1.6574e-01 1.8506e-03 1.0899e-03 4.9046e-03 -6.0000e+00 6.9930e-02 1.2814e-03 -1.8666e-03 3.6399e-05 5.6534e-05 -6.0000e+00 5.3074e-03 -2.2388e-03 -4.9457e-05 11 8 0 10 0 0 64.26 22.87 0.18 -0.00224 -0.01627 213 40 1 5 0 228.490 25.68 20.00 22.87 15.37 30.0 991.77 -58459 -37998 19249 -79038 -70413 -27318 -84891 46518 -58016 -24896 -69350 -32494 -56439 -31766 13379 -18091 -9629 -22143 23584 -3327 172 -13336 1160 -8763 -6360 -8274 5115 -5037 -10670 -11111 -5619 7286 -4235 -5925 -6711 10138 -3151 -3071 3187 -428 -1834 -2243 -1870 -4018 26 2740 -975 377 2412 3049 19 1191 257 3814 1796 2043 637 260 1084 660 1521 2419 2668 150 990 -821 2189 546 2613 962 71 -553 -98 -1004 -173 -135 442 2390 633 584 -270 180 -1687 -1300 -1695 -1170 -1040 -781 -362 -698 -101 464 641 1233 1433 1242 541 718 -468 -664 -275 -316 362 1151 -86 -983 -674 -734 -128 167 -39 -689 -271 29 -4 776 1186 881 453 -397 -834 -529 -140 -53 -46 23 166 1638 737 188 266 -3 316 328 229 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