File name: Pandora55s1_QueensNY_20230810_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T120644.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 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_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20230810_L1_smca1c18d20230426p1-8.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: 20230810 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 20230810T114234.2Z 8622.487896 247 1 49.36 2 72.09 84.63 17.17 149.75 0.00 1 0.00 1 0 25 2.327e-01 1.713e-02 4.707e-02 3.405e-03 4.337822e-01 1.817601e-03 5.098135e-03 -6.000000e+00 1.412440e-01 231.98 -2.00 3.51 -2.00 319.35 0.00e+00 2.755347e-03 4.928534e-04 2.230421e-04 -6.000000e+00 6.377706e-03 290.18 -2.00 20.00 -2.00 318.53 0.00e+00 3.208 0.001 302.00 328.00 3 4.3470e+00 5.1665e-03 3.9554e-02 -6.0000e+00 3.5367e-01 1.5643e-02 6.0610e-03 2.3165e-02 -6.0000e+00 3.8161e-01 -3.1552e-02 4.4261e-03 1.1439e-02 -6.0000e+00 2.2704e-01 1.5958e-02 2.2925e-03 4.0736e-03 -6.0000e+00 9.5280e-02 1.6337e-04 -1.0145e-03 1.0559e-04 4.4926e-05 -6.0000e+00 7.0585e-03 4.2336e-04 0.0000e+00 12 9 8 11 32 0 99.96 19.83 0.47 0.00042 -0.00720 19 4 1 5 0 2597.210 26.00 20.01 19.83 30.86 36.1 1087.34 -61045 -68333 900000 -81095 69152 15521 -40870 900000 19968 -5084 -56324 -51699 59330 18209 110589 15711 -38034 -32955 91819 14667 56910 12870 25641 -29148 10286 -12941 94555 -13603 -8294 -18272 582 13083 2093 -13156 -2928 36795 -6044 -6123 7893 11753 -7935 5682 -8745 -1483 -1510 9216 -3522 8891 7253 6924 873 -1561 -4570 11006 8071 755 6310 3291 5694 1959 1164 4993 1157 -4149 1583 1061 3465 -1000 895 462 -2640 732 2061 -2367 3416 -2332 129 3275 -802 -4529 -2400 2567 -1456 -1388 -1289 -1173 -2963 -870 -2302 -391 -360 -1184 524 1311 533 920 -754 -469 -193 -719 -240 -1120 143 1233 671 -457 -706 -901 413 1753 801 -915 267 -341 -417 483 264 1920 857 -210 -1308 -455 901 -63 409 -32 496 1116 467 -430 1137 684 1124 915 138 -253 29 -140 -332 -962 -566 -843 -282 371 -2078 -2893 900000 -4164 822 290 -1320 900000 446 -155 -2882 -2669 1231 662 2021 808 -3574 -3187 2955 1025 2782 966 1731 -3411 889 -1465 4021 -1564 -884 -2129 61 1355 270 -2102 -432 3679 -922 -1042 1395 2356 -2148 1478 -2711 -445 -460 2598 -1115 2540 2115 2076 288 -564 -1830 4109 3251 335 2757 1494 2523 886 534 2305 595 -2420 932 633 1959 -570 511 286 -1833 529 1513 -1792 2373 -1599 80 1874 -475 -2950 -1718 1955 -1243 -1255 -1219 -1166 -3134 -942 -2566 -428 -384 -1215 500 1192 489 897 -810 -549 -244 -951 -317 -1426 169 1402 776 -557 -900 -1192 564 2486 1208 -1462 433 -550 -650 718 379 2733 1259 -323 -2099 -735 1427 -99 623 -48 712 1554 661 -642 1785 1129 1910 1591 248 -474 55 -276 -666 -1943 -1123 -1638 -529 682 SS 20230810T115159.3Z 8622.494436 253 1 50.14 2 70.32 86.12 16.37 156.39 0.00 1 0.00 1 0 25 1.689e-01 9.976e-03 2.941e-02 2.091e-03 4.106154e-01 1.104196e-03 4.816549e-03 -6.000000e+00 1.018238e-01 231.98 -2.00 3.51 -2.00 318.94 0.00e+00 6.351486e-04 2.619998e-04 1.468495e-04 -6.000000e+00 4.574947e-03 290.18 -2.00 20.00 -2.00 318.09 0.00e+00 2.935 0.000 302.00 328.00 3 3.7569e+00 3.0752e-03 3.6600e-02 -6.0000e+00 2.5469e-01 1.1022e-02 3.5556e-03 2.1749e-02 -6.0000e+00 2.7467e-01 -1.5847e-02 2.4670e-03 1.0534e-02 -6.0000e+00 1.6398e-01 3.0331e-03 1.2772e-03 2.9488e-03 -6.0000e+00 6.8895e-02 3.9659e-04 -7.5230e-04 6.4468e-05 3.4948e-05 -6.0000e+00 5.0464e-03 1.2058e-04 0.0000e+00 12 8 8 10 0 0 99.71 19.82 0.15 0.00012 -0.00553 51 10 1 5 0 982.990 26.00 20.00 19.82 31.04 36.2 1088.92 -24017 -44073 160872 -43975 5932 -5261 -11554 51417 3747 -4525 -29741 -13100 -22422 -39361 21199 5169 -15210 -6030 21281 14838 10945 3328 5347 -10580 1434 -2712 23341 -5668 -4112 -7362 1595 5119 2184 -7067 -3484 11293 -2434 -1511 1342 3184 -4817 1221 -4025 -1215 -1705 2458 -2679 1257 995 2913 1269 -991 -469 4489 3169 1161 3105 862 2025 799 612 3120 1345 -898 1134 -2313 1911 -357 776 1385 -534 250 887 -1648 842 -699 1348 1483 759 -981 -893 651 -1447 -1206 -2027 -898 -1574 -526 -950 -425 -550 297 467 1337 639 1204 124 358 -224 -573 -528 -937 159 775 286 -909 -578 -798 -129 750 358 -465 -53 139 -477 574 577 1198 520 -32 -973 -463 331 396 139 104 49 1107 842 -105 671 88 475 536 356 -273 -30 15 -332 -563 -323 -452 -279 186 -814 -2045 1240 -2174 176 -165 -393 1087 137 -193 -1667 -662 -1375 -3296 1200 388 -1507 -588 1715 1332 1053 350 561 -1347 175 -363 2527 -787 -545 -994 207 714 348 -1307 -632 1756 -440 -302 307 839 -1536 399 -1440 -435 -620 873 -995 451 359 1051 484 -411 -208 2029 1520 586 1586 454 1055 415 320 1658 777 -568 741 -1559 1204 -222 486 926 -396 196 710 -1339 647 -513 903 938 482 -670 -675 534 -1302 -1143 -2023 -931 -1718 -590 -1090 -484 -612 314 465 1271 611 1211 136 426 -287 -767 -705 -1205 192 900 339 -1129 -749 -1070 -178 1079 543 -739 -85 222 -740 849 824 1704 762 -49 -1546 -741 522 614 211 154 70 1540 1180 -155 1044 144 794 916 627 -499 -57 28 -648 -1105 -624 -855 -513 335 SS 20230810T115703.0Z 8622.497952 256 1 50.46 2 69.36 86.93 16.01 160.20 0.00 1 0.00 1 0 25 7.587e-02 8.979e-03 1.274e-02 1.664e-03 3.944437e-01 8.767489e-04 4.667692e-03 -6.000000e+00 4.573408e-02 231.98 -2.00 3.51 -2.00 318.58 0.00e+00 4.419818e-04 1.865590e-04 2.473997e-04 -6.000000e+00 2.054866e-03 290.18 -2.00 20.00 -2.00 317.71 0.00e+00 2.808 0.000 302.00 328.00 3 3.5474e+00 2.4088e-03 3.5090e-02 -6.0000e+00 1.1440e-01 1.3212e-02 2.7564e-03 2.0951e-02 -6.0000e+00 1.2337e-01 -1.2093e-02 1.8341e-03 1.0095e-02 -6.0000e+00 7.3651e-02 8.7624e-04 9.4589e-04 2.8120e-03 -6.0000e+00 3.0944e-02 5.6361e-04 -6.4670e-04 5.0997e-05 3.3591e-05 -6.0000e+00 2.2666e-03 2.6157e-04 0.0000e+00 11 8 0 10 0 0 99.90 19.81 0.11 0.00026 -0.00460 50 9 1 5 0 1009.020 26.00 19.97 19.81 31.25 36.2 1089.98 -26772 -23199 43069 -35665 4708 -1653 -9128 33784 -8 -2317 -13739 -10542 -13564 -24069 13693 -109 -9237 -7383 12792 8940 8527 127 3903 -6735 938 -4031 13169 -2524 -803 -4973 598 5290 944 -5296 -1597 7967 -2923 -1706 587 2069 -3265 -279 -2901 -1660 -951 1660 -2596 822 942 1633 1080 -287 -161 3169 2604 656 2067 292 1197 881 1151 2598 997 -568 326 -1574 1305 352 1460 1072 -415 11 221 -1221 252 -300 357 1733 997 -887 -479 261 -1591 -945 -2140 -933 -1393 -760 -735 -389 -78 97 686 1594 1545 1236 688 639 -405 -426 -562 -728 -278 1015 -28 -854 -569 -997 -90 543 193 -567 -108 100 -165 440 827 959 670 -224 -1077 -747 126 267 -114 -90 290 1561 859 410 771 307 105 560 396 -274 -230 119 -330 -536 -319 -423 -197 73 -1195 -1147 1236 -2092 180 -64 -387 1068 0 -123 -842 -656 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