File name: Pandora55s1_QueensNY_20241230_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241231T050351.4Z 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 v1.8.60 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20241230_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: 20241230 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 20241230T135806.6Z 9130.582021 94 1 2.16 2 76.31 137.98 79.56 144.29 0.00 1 0.00 1 0 25 2.752e-01 1.123e-02 1.594e-01 6.642e-03 6.109464e-01 3.482571e-03 7.141918e-03 -6.000000e+00 1.605819e-01 223.30 -2.00 3.51 -2.00 320.00 0.00e+00 2.517486e-03 1.157451e-03 9.146063e-04 -6.000000e+00 7.117683e-03 276.26 -2.00 20.00 -2.00 319.47 0.00e+00 4.126 0.001 302.00 328.00 3 1.5117e+00 1.0036e-02 5.1807e-02 -6.0000e+00 3.9544e-01 8.7902e-02 1.2237e-02 3.2342e-02 -6.0000e+00 4.3018e-01 -6.0296e-02 1.1140e-02 1.6028e-02 -6.0000e+00 2.5658e-01 1.8936e-02 5.7486e-03 5.4653e-03 -6.0000e+00 1.0864e-01 9.3223e-04 -1.3806e-03 1.9197e-04 6.1493e-05 -6.0000e+00 8.2036e-03 -8.8829e-05 0.0000e+00 12 9 9 12 1 1 99.62 15.55 0.14 -0.00009 -0.01046 5 27 1 5 0 357.750 26.00 20.00 15.55 18.19 37.2 1086.63 -109678 -90581 900000 -145003 95233 -107514 -75746 -101635 -32871 -40085 -47054 -46025 -53581 -13618 -27509 -10551 -57438 -3321 -29081 35258 -35375 18720 35500 -9153 6767 -22409 44268 -15580 28060 -31064 10409 -15967 -2589 -12138 -3939 1480 -3922 2726 -3279 8966 -6123 2556 -5907 8225 -3197 8627 1409 5206 3493 652 7893 -859 2626 2889 10179 -2040 4429 2089 391 -1799 754 6621 1191 893 974 1534 2415 1240 354 924 -1824 1118 180 -575 96 -729 2154 -321 2321 -2283 233 -811 -1848 -2003 -1779 -1127 -2627 -870 -570 -596 -300 687 -50 1518 1227 1285 -227 462 634 -67 37 -1384 748 588 -25 -1151 -731 -1134 438 723 -696 -109 -440 201 -274 294 749 1482 453 -367 -759 -81 -662 -102 404 -199 1032 1203 1118 -262 380 281 416 883 120 -413 56 8 -515 -824 -544 205 81 -4 -1651 -1373 900000 -4063 617 -1982 -1078 -2026 -394 -562 -751 -798 -1175 -257 -732 -289 -2767 -108 -1300 933 -1856 614 1022 -419 290 -1335 1490 -903 1080 -2106 533 -1211 -202 -1136 -354 125 -357 262 -395 1144 -1027 436 -1150 1471 -643 1594 283 1034 728 146 1773 -227 739 877 3096 -718 1534 749 141 -650 267 2320 475 394 462 747 1154 593 176 499 -1106 707 117 -373 59 -424 1134 -165 1196 -1327 150 -587 -1474 -1703 -1581 -1041 -2556 -865 -575 -599 -293 639 -44 1307 1083 1221 -239 531 789 -88 49 -1761 881 662 -28 -1363 -898 -1447 579 1007 -1042 -173 -719 328 -438 454 1124 2209 694 -586 -1243 -131 -1064 -160 616 -297 1495 1708 1621 -404 628 490 756 1644 232 -829 115 18 -1093 -1750 -1138 413 158 -7 SS 20241230T142014.7Z 9130.597393 106 1 4.23 2 73.62 142.46 77.32 148.50 0.00 1 0.00 1 0 25 3.498e-01 1.477e-02 2.160e-01 8.386e-03 5.218511e-01 4.358231e-03 6.176182e-03 -6.000000e+00 2.040428e-01 223.30 -2.00 3.51 -2.00 319.68 0.00e+00 2.274271e-03 1.303269e-03 9.207885e-04 -6.000000e+00 9.047190e-03 276.26 -2.00 20.00 -2.00 319.13 0.00e+00 3.489 0.001 302.00 328.00 3 3.2093e+00 1.2298e-02 4.3995e-02 -6.0000e+00 5.0246e-01 4.2693e-02 1.4658e-02 2.7739e-02 -6.0000e+00 5.4668e-01 -1.9848e-02 1.2489e-02 1.3536e-02 -6.0000e+00 3.2605e-01 5.7016e-03 6.5259e-03 4.5602e-03 -6.0000e+00 1.3799e-01 3.4860e-04 -1.3026e-03 2.5085e-04 5.1213e-05 -6.0000e+00 1.0429e-02 2.3345e-03 0.0000e+00 12 9 9 12 9 1 99.95 15.57 0.08 0.00233 -0.00745 4 11 1 5 0 844.790 26.00 20.00 15.57 19.29 37.1 1092.28 13391 -50628 900000 -116921 122054 -66231 195288 126705 218387 -15694 -34169 -24150 -47452 31799 9693 20286 -55906 59379 21863 73274 -17802 7068 -23837 -32912 6790 -14318 64244 -7093 -13402 -31429 31896 -11670 11805 -8325 -5373 22492 -648 9863 2984 9206 -4589 9803 -11237 4365 -3588 10267 -6399 4305 1793 6454 3320 403 -2686 6259 7376 -2363 7588 -1832 1875 -731 2627 6401 1355 263 3046 2099 295 2511 -2665 1183 -686 121 -1106 -2777 1150 -1889 2038 3952 3179 -2510 -119 -187 -1886 -1528 -2683 -627 -1651 -579 -2406 764 -1965 981 830 3003 567 144 -215 184 525 -1202 278 -1239 795 995 966 -1085 672 -1589 419 678 248 2 -602 146 -890 1727 848 1620 6 -476 -2167 -774 313 801 -231 -557 346 617 1538 -830 1031 11 764 413 685 -266 577 -131 -547 -613 -350 -155 -125 -147 126 -985 900000 -4527 998 -1492 1597 1036 1786 -309 -838 -582 -1623 650 292 652 -4030 1654 915 2049 -1173 380 -1725 -2722 421 -1144 2594 -543 -1066 -2982 1838 -1141 1064 -982 -630 2020 -74 1143 435 1497 -960 1970 -2878 1007 -904 2327 -1697 1055 459 1641 918 124 -921 2134 2642 -958 2919 -773 764 -299 1047 2578 616 132 1598 1131 158 1296 -1471 687 -445 83 -786 -1976 760 -1200 1162 2108 1728 -1542 -81 -141 -1574 -1349 -2503 -603 -1676 -604 -2588 800 -2044 954 765 2637 514 141 -230 215 662 -1608 367 -1586 944 1130 1103 -1310 836 -2082 564 959 374 3 -989 239 -1421 2606 1250 2368 10 -748 -3547 -1261 498 1246 -353 -831 500 869 2186 -1265 1662 19 1345 747 1278 -517 1151 -267 -1130 -1269 -712 -306 -239 -276 SS 20241230T142945.5Z 9130.603999 109 1 50.46 2 72.55 144.45 76.43 150.37 0.00 1 0.00 1 0 25 5.743e-02 6.210e-03 8.226e-03 5.710e-04 5.050214e-01 2.943125e-04 5.996195e-03 -6.000000e+00 3.350876e-02 223.30 -2.00 3.51 -2.00 319.23 0.00e+00 8.362334e-04 7.633671e-05 4.609413e-04 -6.000000e+00 1.467977e-03 276.26 -2.00 20.00 -2.00 318.66 0.00e+00 3.287 0.001 302.00 328.00 3 9.0765e-01 8.1035e-04 4.1639e-02 -6.0000e+00 8.2514e-02 3.5644e-02 9.4631e-04 2.5968e-02 -6.0000e+00 8.9769e-02 -1.0922e-02 7.5580e-04 1.3012e-02 -6.0000e+00 5.3505e-02 -3.3860e-03 4.0007e-04 3.8916e-03 -6.0000e+00 2.2564e-02 4.3372e-03 -8.4683e-04 1.6911e-05 4.6522e-05 -6.0000e+00 1.7110e-03 1.6763e-04 0.0000e+00 10 0 0 10 0 0 99.99 15.57 0.18 0.00017 -0.00620 605 114 1 5 0 83.380 26.00 19.99 15.57 19.72 37.3 1095.62 -28317 -17397 -9351 -23071 -23069 -14365 -22827 -8055 -18469 -15985 -17625 -15426 -7313 -8905 100 -4348 -3535 -5942 3131 1089 -1664 -156 -267 -2416 -2716 -2601 -920 -2226 -3157 -1720 -973 849 546 -1506 -1966 309 -559 -547 598 -632 -1553 -1195 -1560 -1308 -691 -184 -640 41 -43 1024 992 1158 1029 1485 1084 913 820 264 317 655 1298 1578 1559 612 -71 336 723 677 1413 860 158 -257 -674 -487 -638 -115 329 945 1220 161 -66 -487 -1405 -1394 -1178 -1221 -982 -734 -497 -508 115 550 647 1585 1553 1300 867 779 -262 -511 -410 -549 -47 778 -182 -1045 -494 -804 -163 -80 -99 -394 -215 -27 126 735 992 832 576 -379 -822 -396 -303 -337 -34 126 322 1477 1010 281 478 -17 328 171 229 -357 -173 119 -411 -516 -208 -146 -18 262 -523 -341 -184 -524 -496 -271 -483 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