File name: Pandora55s1_QueensNY_20240619_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T140702.8Z 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_20240619_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: 20240619 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 20240619T105624.2Z 8936.455836 162 1 36.20 2 75.03 71.76 131.26 273.50 0.00 1 0.00 1 0 25 2.935e-01 2.266e-02 6.806e-02 5.017e-03 4.994946e-01 2.740404e-03 5.920807e-03 -6.000000e+00 1.804714e-01 232.91 -2.00 3.51 -2.00 319.95 0.00e+00 6.219978e-03 8.857860e-04 1.258033e-03 -6.000000e+00 8.351027e-03 287.19 -2.00 20.00 -2.00 319.21 0.00e+00 3.795 0.001 302.00 328.00 3 4.0197e+00 8.0698e-03 4.6451e-02 -6.0000e+00 4.5452e-01 8.6323e-02 9.6984e-03 2.6734e-02 -6.0000e+00 4.9176e-01 -1.1701e-01 7.5886e-03 1.4903e-02 -6.0000e+00 2.8984e-01 5.0597e-02 3.8531e-03 6.9299e-03 -6.0000e+00 1.1972e-01 1.1710e-04 -1.8042e-03 1.5481e-04 8.1867e-05 -6.0000e+00 9.0440e-03 9.6656e-03 0.0000e+00 12 9 9 12 33 1 99.86 20.18 0.05 0.00967 -0.00389 11 3 1 5 0 3015.690 26.00 20.00 20.18 28.95 37.5 1100.00 -109998 -106086 -70980 -120293 900000 900000 -38455 900000 20400 900000 -98471 36934 -80613 -67830 900000 18748 -31937 -34224 900000 73898 13300 20796 68977 -54171 17939 -13459 -1935 2598 -13302 -15831 -6494 47812 -13764 12633 2878 148640 -19347 -1136 15898 25947 -8763 13574 -9797 -4168 2719 19095 -2335 -3233 13997 13940 7135 -728 -3010 18580 14912 8921 10002 8481 4891 4412 1409 4478 2513 -5902 5732 -5404 9549 -3052 4624 2359 1247 1048 4870 -5412 4587 -2411 -1482 4996 -1365 -2477 -5234 3835 -3188 637 -4526 -246 -3776 -1108 -3265 104 -1276 -2062 825 210 196 -399 -1192 -2092 561 -573 20 -2353 250 3283 1229 -85 -1472 -2088 -1061 2853 650 -1364 -22 -40 -774 388 863 1994 742 -33 -1331 -63 2020 2294 306 1223 -950 1110 1043 -766 1001 1311 559 868 762 -867 101 387 -941 -1378 -828 -1288 107 639 -3729 -4059 -2139 -5705 900000 900000 -787 900000 290 900000 -4515 531 -3860 -3533 900000 633 -1929 -2300 900000 2086 675 997 2149 -5409 969 -1014 -133 171 -996 -1234 -506 2588 -1495 1168 295 3928 -2446 -136 1905 3325 -1741 2392 -2255 -947 593 3667 -552 -782 2945 3030 1742 -207 -947 5148 4523 2957 3381 2924 1732 1554 515 1669 1039 -2877 2700 -2843 4291 -1495 2182 1234 726 654 3027 -3615 2702 -1406 -793 2400 -699 -1393 -3406 2587 -2496 515 -4004 -221 -3667 -1099 -3354 104 -1252 -1936 714 177 166 -367 -1218 -2369 677 -734 25 -2920 285 3505 1351 -99 -1809 -2679 -1411 3897 961 -2159 -36 -64 -1208 577 1241 2848 1100 -51 -2150 -103 3168 3522 465 1793 -1375 1543 1475 -1160 1605 2214 984 1565 1424 -1699 203 796 -1973 -2906 -1711 -2599 207 1209 SS 20240619T110650.4Z 8936.463083 165 1 50.19 2 73.15 73.30 133.16 275.24 0.00 1 0.00 1 0 25 2.618e-01 8.590e-03 8.905e-02 1.810e-03 4.642519e-01 9.624119e-04 5.402333e-03 -6.000000e+00 1.581538e-01 232.91 -2.00 3.51 -2.00 319.36 0.00e+00 1.781708e-03 2.596040e-04 3.133638e-04 -6.000000e+00 7.000344e-03 287.19 -2.00 20.00 -2.00 318.58 0.00e+00 3.396 0.001 302.00 328.00 3 3.0296e+00 2.7334e-03 4.2135e-02 -6.0000e+00 3.9692e-01 4.3715e-03 3.1986e-03 2.4999e-02 -6.0000e+00 4.2816e-01 -1.7262e-02 2.4036e-03 1.2029e-02 -6.0000e+00 2.5491e-01 2.0442e-03 1.2458e-03 3.8526e-03 -6.0000e+00 1.0642e-01 4.9669e-04 -8.8087e-04 5.5066e-05 4.2241e-05 -6.0000e+00 7.8248e-03 7.9010e-03 0.0000e+00 11 9 0 11 8 0 99.33 20.21 0.18 0.00790 0.00128 56 11 1 5 0 896.020 26.00 20.01 20.21 29.33 37.6 1100.00 -35494 -53658 270368 -63014 -1448 -13193 -24537 65559 -10236 -16925 -45319 -19378 -33437 -18438 25562 419 -13027 4368 20343 5133 -8693 -481 7363 -16648 2415 -5223 29830 -6578 -4358 -11480 -605 4624 9 -3751 -923 14915 -8343 -2234 1302 3069 -4183 1494 -4666 -2090 -1138 4071 -1618 1533 2278 2482 1253 209 -1659 3136 2973 774 1939 695 1054 628 764 3202 1522 -613 106 -768 1917 528 1537 1291 491 49 215 -1345 451 -754 997 1680 1098 -282 -922 338 -2137 -1162 -1624 -671 -1664 -231 -1004 -201 108 -66 393 1077 1344 942 389 341 -442 -687 -400 -494 92 962 5 -836 -399 -778 -296 683 32 -593 -358 -90 -99 496 990 1075 517 -199 -836 -611 -40 181 134 223 127 1391 812 188 563 150 259 346 327 -185 -48 160 -366 -654 -276 -351 -57 67 -790 -1635 477 -2251 -28 -272 -582 748 -264 -502 -1831 -657 -1476 -846 936 22 -878 271 1167 359 -715 -37 543 -1615 211 -518 2201 -669 -426 -1198 -61 502 1 -533 -130 1786 -1272 -363 242 660 -1081 398 -1377 -622 -340 1183 -498 462 690 771 413 75 -650 1259 1260 347 887 325 489 290 354 1520 787 -349 63 -467 1106 301 891 810 339 36 162 -1015 323 -515 625 995 658 -183 -671 268 -1866 -1064 -1556 -669 -1749 -249 -1109 -220 115 -67 377 996 1254 940 423 403 -563 -913 -530 -628 110 1107 6 -1031 -511 -1032 -406 978 49 -943 -581 -145 -154 740 1436 1556 771 -310 -1344 -989 -64 283 205 332 184 1958 1163 285 901 251 447 612 596 -351 -93 317 -736 -1321 -550 -683 -108 125 SS 20240619T113439.2Z 8936.482399 181 1 49.67 2 68.05 77.37 138.19 280.23 0.00 1 0.00 1 0 25 1.734e-01 1.201e-02 2.484e-02 2.414e-03 3.627562e-01 1.274595e-03 4.269855e-03 -6.000000e+00 1.047661e-01 232.91 -2.00 3.51 -2.00 318.42 0.00e+00 8.161630e-04 2.537145e-04 1.366530e-04 -6.000000e+00 4.636640e-03 287.19 -2.00 20.00 -2.00 317.60 0.00e+00 2.652 0.000 302.00 328.00 3 4.4087e+00 3.4818e-03 3.2838e-02 -6.0000e+00 2.6293e-01 9.7128e-03 3.9570e-03 1.9264e-02 -6.0000e+00 2.8361e-01 -1.0687e-02 2.5745e-03 9.2880e-03 -6.0000e+00 1.6885e-01 3.0612e-03 1.3120e-03 2.6423e-03 -6.0000e+00 7.0505e-02 2.8952e-04 -6.4693e-04 7.4311e-05 3.1059e-05 -6.0000e+00 5.1822e-03 6.6714e-03 0.0000e+00 12 9 8 11 32 0 99.90 20.30 0.42 0.00667 0.00181 22 4 1 5 0 2257.180 26.00 20.01 20.30 29.35 37.5 1100.00 -30901 -28131 172486 -37321 16248 12117 -6821 60530 -5257 -1366 -25097 -2542 -17283 -19262 23198 2853 -13389 -15983 22232 8013 -3346 3891 7356 -10167 42 -4399 21563 -4701 -4276 -5746 1232 6558 1214 -1389 -2096 14022 -6587 -4486 3688 3685 -3640 2194 -4254 -1884 -658 3986 -2431 2679 2140 2944 1023 -6 -2143 4790 3958 1315 2427 591 1856 746 995 3046 1251 -1347 390 -1933 1897 -917 1185 935 -121 243 321 -1749 924 -917 1064 2755 248 -760 -1387 411 -2119 -971 -1829 -1060 -1713 -590 -1232 -29 -616 -437 298 1004 855 1297 -143 -222 -140 -361 -223 -1102 -13 1446 419 -1167 -618 -649 240 1024 383 -1052 38 53 -495 371 700 1174 434 -124 -1101 -171 345 960 -41 317 -28 1333 630 117 837 478 634 596 497 -311 466 15 -645 -862 -587 -433 -280 -133 -1784 -1790 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