File name: Pandora55s1_QueensNY_20240319_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240322T202755.2Z 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_20240319_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: 20240319 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 20240319T121136.2Z 8844.508057 194 1 50.52 2 77.24 101.59 113.08 347.62 0.00 1 0.00 1 0 25 6.188e-01 7.792e-03 7.897e-02 9.474e-04 8.814978e-01 5.211515e-04 9.629924e-03 -6.000000e+00 3.655521e-01 226.56 -2.00 3.51 -2.00 321.02 0.00e+00 4.701868e-03 2.411731e-04 1.425061e-03 -6.000000e+00 1.595090e-02 277.61 -2.00 20.00 -2.00 320.54 0.00e+00 4.406 0.001 302.00 328.00 3 1.5376e-01 1.6705e-03 6.5034e-02 -6.0000e+00 9.0640e-01 1.6047e-01 2.4023e-03 4.9564e-02 -6.0000e+00 9.8429e-01 -1.2851e-01 2.6583e-03 2.6075e-02 -6.0000e+00 5.8518e-01 3.8161e-02 1.2675e-03 1.1974e-02 -6.0000e+00 2.4674e-01 1.9805e-03 -5.9848e-05 2.4271e-05 1.1199e-04 -6.0000e+00 1.8578e-02 1.8749e-02 0.0000e+00 11 9 0 11 4 0 91.74 22.53 0.18 0.01875 0.01830 423 80 1 5 0 119.420 25.90 19.99 22.53 7.76 35.2 1021.92 -236790 -81757 -243766 -208351 -191685 -238485 -74544 -204369 -186896 -222831 -180225 -176454 -141887 -39515 -85617 -84718 -62083 -12352 -43048 -37189 -54768 -45362 -66938 -41425 -47809 -8735 -38110 -48318 -46997 -32912 -19226 -21504 -11177 -10465 6477 -17736 -13341 -1819 -1784 -3071 -1931 -2662 -2164 -230 4249 -1378 3945 3168 5327 3756 4152 2318 7591 4142 3642 2986 830 1671 922 1490 3457 2550 1012 2755 1036 3089 1154 2636 1837 1367 910 456 -165 40 112 238 930 611 268 -59 355 -1134 -1277 -1488 -1397 -1048 -950 -639 -418 335 422 1020 1108 968 613 394 595 -439 -354 -334 -197 299 848 -393 -1244 -798 -942 -277 -133 -257 -614 -276 -82 -51 631 1001 1005 464 -350 -696 -384 121 -76 134 -50 427 1560 812 113 313 26 296 120 100 -485 -136 151 -397 -480 -154 42 117 205 -1472 -136 -1945 -1251 -956 -1823 -138 -1586 -1364 -2358 -1615 -1808 -1418 -212 -941 -1025 -699 -105 -492 -422 -759 -594 -1181 -626 -835 -119 -640 -921 -967 -710 -462 -652 -350 -340 177 -648 -537 -80 -88 -180 -126 -190 -162 -17 317 -114 327 286 518 417 526 314 1087 670 632 546 158 311 168 269 649 547 256 773 292 870 342 833 664 563 408 210 -74 17 42 81 306 217 112 -28 197 -731 -850 -1059 -1054 -830 -783 -533 -342 260 308 706 766 722 498 378 632 -510 -444 -420 -231 328 844 -391 -1310 -883 -1107 -332 -178 -374 -958 -440 -134 -81 1009 1546 1561 752 -569 -1155 -620 193 -115 205 -75 609 2167 1202 183 555 49 583 252 216 -1083 -317 358 -918 -1139 -349 93 248 416 SS 20240319T121727.8Z 8844.512128 197 1 49.67 2 76.15 102.60 113.31 348.98 0.00 1 0.00 1 0 25 5.121e-01 8.121e-03 1.212e-01 1.619e-03 8.164918e-01 8.974391e-04 9.064921e-03 -6.000000e+00 3.046805e-01 226.56 -2.00 3.51 -2.00 321.07 0.00e+00 4.450384e-03 4.165338e-04 2.417869e-03 -6.000000e+00 1.338260e-02 277.61 -2.00 20.00 -2.00 320.59 0.00e+00 4.083 0.001 302.00 328.00 3 1.3410e+00 2.8984e-03 6.1585e-02 -6.0000e+00 7.5626e-01 1.0064e-01 4.1354e-03 4.8836e-02 -6.0000e+00 8.2201e-01 -5.9934e-02 4.5289e-03 2.3472e-02 -6.0000e+00 4.8667e-01 1.3263e-02 2.1602e-03 1.0393e-02 -6.0000e+00 2.0523e-01 8.8388e-04 -5.6203e-04 4.3897e-05 9.7630e-05 -6.0000e+00 1.5641e-02 2.1865e-02 0.0000e+00 12 9 1 12 13 1 100.00 22.53 0.15 0.02186 0.01764 362 70 1 5 0 136.810 25.90 20.01 22.53 8.00 35.2 1023.49 -250487 900000 -262555 54692 -185942 -175527 900000 -129663 -106383 -170768 -122997 -167731 -121168 -23033 -39908 -96376 -24229 24935 10918 -17165 -40675 -35930 -49369 -39071 -36255 89439 -39300 -13310 -54589 -6449 -4757 -6091 -15122 -2303 31940 -7651 -9726 -5705 6867 -8503 2 -9200 1837 -1576 10681 -2675 5218 6554 4839 5430 1804 2570 5730 5642 1187 2573 910 3153 1533 617 5063 1781 462 1805 1577 1692 1397 2259 1880 555 470 171 -1711 1341 -108 2483 2122 1909 188 -53 309 -771 -1324 -1977 -1280 -1602 -783 -1217 -470 -94 831 704 1525 916 1079 338 419 -258 -533 -174 -353 824 1070 -290 -1031 -983 -841 -243 69 -121 -647 -307 7 -260 914 893 978 286 -350 -887 -340 125 -175 92 -214 397 1453 951 -217 430 24 542 299 72 -389 -204 207 -605 -345 -208 -10 137 288 -2428 900000 -3344 86 -1130 -1020 900000 -631 -462 -1486 -792 -2057 -1289 -130 -331 -1595 -238 174 94 -200 -606 -530 -885 -697 -678 555 -797 -218 -1390 -125 -111 -173 -523 -74 754 -269 -394 -267 345 -567 0 -734 140 -127 795 -232 443 586 474 584 226 358 854 911 211 472 172 579 281 114 942 381 114 487 449 486 411 702 658 219 200 74 -739 529 -40 823 686 656 74 -24 165 -464 -865 -1377 -932 -1219 -614 -975 -369 -71 594 482 1030 657 864 311 434 -297 -654 -213 -411 873 1062 -290 -1072 -1071 -955 -291 90 -173 -1005 -499 11 -421 1426 1361 1495 451 -572 -1479 -559 197 -268 138 -312 559 2003 1370 -344 748 46 1072 616 156 -876 -474 487 -1438 -817 -478 -23 287 586 SS 20240319T122817.2Z 8844.519644 200 1 50.47 2 74.16 104.49 113.66 351.49 0.00 1 0.00 1 0 25 3.457e-01 7.462e-03 8.801e-02 1.508e-03 7.249833e-01 8.233288e-04 8.119917e-03 -6.000000e+00 2.041548e-01 226.56 -2.00 3.51 -2.00 320.81 0.00e+00 2.993409e-03 3.510341e-04 1.651546e-03 -6.000000e+00 9.029298e-03 277.61 -2.00 20.00 -2.00 320.30 0.00e+00 3.599 0.001 302.00 328.00 3 1.6591e+00 2.5663e-03 5.3511e-02 -6.0000e+00 5.0621e-01 5.8457e-02 3.4634e-03 4.1021e-02 -6.0000e+00 5.4974e-01 -1.2272e-02 3.6134e-03 2.0137e-02 -6.0000e+00 3.2706e-01 -5.0421e-03 1.7646e-03 8.0051e-03 -6.0000e+00 1.3857e-01 1.1283e-03 -2.3847e-04 4.2282e-05 8.0976e-05 -6.0000e+00 1.0381e-02 2.0355e-02 0.0000e+00 11 9 0 11 4 0 99.99 22.56 0.09 0.02036 0.01856 591 112 1 5 0 85.380 25.90 19.99 22.56 8.28 35.0 1024.40 -179626 900000 -188894 -6881 -118311 -26523 -84202 -59876 -112983 -114298 -98303 -108343 -86757 -17124 -14796 -66237 32215 7736 25223 -26453 -15807 -15823 -27627 -16406 -17570 39649 -20445 -4279 -32833 9432 -5037 8057 -8682 1784 13351 -6567 -2652 1678 4773 -9192 -346 -8251 412 -2994 8022 -1944 4259 1600 3863 2787 715 2398 3626 4492 -427 3140 -602 1620 1 2008 2638 2134 509 991 941 1723 1401 1094 2426 -266 275 -540 -1339 264 -341 2125 1567 2090 -388 550 4 -981 -1338 -1443 -1411 -1584 -721 -762 -159 -79 1005 721 1976 979 1306 504 573 -346 -536 -123 -492 648 681 90 -1023 -653 -1107 -94 155 -243 -734 -316 8 -179 869 956 1055 283 -170 -952 -450 31 -139 18 -344 541 1462 927 -105 478 -34 294 269 120 -358 -227 285 -499 -423 -118 -1 -5 318 -1886 900000 -2458 -17 -793 -81 -490 -319 -1060 -1183 -996 -1458 -1231 -167 -172 -1405 326 106 319 -551 -308 -317 -661 -387 -449 640 -560 -103 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