File name: Pandora55s1_QueensNY_20230909_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T122007.3Z 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_20230909_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: 20230909 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 20230909T115628.0Z 8652.497546 257 1 32.72 2 74.49 96.46 17.81 134.21 0.00 1 0.00 1 0 25 1.733e-01 1.245e-02 4.200e-02 2.949e-03 4.602147e-01 1.558149e-03 5.396702e-03 -6.000000e+00 1.036258e-01 229.75 -2.00 3.51 -2.00 319.39 0.00e+00 1.614014e-03 4.301125e-04 2.187550e-04 -6.000000e+00 4.715836e-03 288.44 -2.00 20.00 -2.00 318.60 0.00e+00 3.671 0.001 302.00 328.00 3 3.2711e+00 4.4227e-03 4.3898e-02 -6.0000e+00 2.5795e-01 3.1533e-02 5.2113e-03 2.4398e-02 -6.0000e+00 2.7874e-01 -4.7170e-02 3.8897e-03 1.1896e-02 -6.0000e+00 1.6663e-01 1.5955e-02 2.0125e-03 3.7455e-03 -6.0000e+00 7.0421e-02 3.0378e-04 -9.4080e-04 9.0368e-05 4.2826e-05 -6.0000e+00 5.1781e-03 1.0072e-03 0.0000e+00 12 9 9 12 9 1 99.72 19.54 0.20 0.00101 -0.00606 20 6 1 5 0 1557.920 25.90 19.98 19.54 31.35 36.4 1079.35 -52934 -61635 900000 -76056 -27778 9855 -27558 91582 -9679 -33194 -50846 -36024 -36293 -66908 35928 2967 -25210 27665 25142 22404 20334 13048 -1122 -21535 2413 -6489 36680 -8946 -4319 -13704 -4101 6810 2174 -9670 765 18452 -8062 -923 4339 7120 -6098 2600 -5450 -702 223 5764 -2043 5193 3318 4864 672 -1257 -2115 5889 5517 1487 3373 1264 3609 1318 1928 3933 1300 -1046 1281 -3683 2930 -315 1551 2399 -1270 882 886 -1225 1703 -1405 190 1703 68 -2266 -1208 307 -1197 -1429 -2921 -547 -1665 -176 -1567 -598 -202 187 173 1317 347 1170 -336 -83 -37 -790 -377 -490 -199 1175 212 -925 -603 -1295 96 823 555 -762 229 103 -282 344 414 1443 330 -453 -1048 -296 229 570 50 454 582 1063 866 -153 1124 330 430 546 341 -206 55 195 -324 -777 -659 -384 -552 262 -1464 -2144 900000 -3265 -724 173 -703 852 -259 -1194 -2252 -1475 -1688 -4926 1225 159 -1944 1414 1408 1357 1302 911 -91 -2205 213 -657 2564 -939 -423 -1460 -427 720 270 -1444 105 2124 -1214 -146 771 1451 -1582 678 -1601 -204 65 1626 -621 1491 982 1454 219 -446 -816 2271 2252 651 1498 579 1614 594 870 1812 660 -586 745 -2248 1651 -178 881 1463 -870 633 653 -911 1194 -951 118 989 40 -1461 -860 239 -1019 -1289 -2789 -539 -1730 -188 -1719 -649 -213 188 165 1203 321 1145 -362 -97 -47 -1043 -496 -620 -238 1340 247 -1130 -766 -1712 131 1170 834 -1210 369 165 -441 515 600 2078 490 -703 -1685 -477 365 890 77 675 841 1499 1236 -230 1790 552 743 965 622 -391 108 389 -653 -1579 -1319 -751 -1047 487 SS 20230909T121257.3Z 8652.508996 264 1 50.53 2 71.40 99.28 15.82 144.54 0.00 1 0.00 1 0 25 7.665e-02 7.747e-03 1.686e-02 1.774e-03 3.947140e-01 9.288248e-04 4.674127e-03 -6.000000e+00 4.582600e-02 229.75 -2.00 3.51 -2.00 319.04 0.00e+00 6.297311e-04 2.269784e-04 3.004703e-04 -6.000000e+00 2.060884e-03 288.44 -2.00 20.00 -2.00 318.22 0.00e+00 3.095 0.000 302.00 328.00 3 3.2286e+00 2.5894e-03 3.7238e-02 -6.0000e+00 1.1407e-01 -3.1068e-03 3.0039e-03 2.0921e-02 -6.0000e+00 1.2326e-01 6.7399e-03 2.1142e-03 1.0132e-02 -6.0000e+00 7.3646e-02 -8.4957e-03 1.0963e-03 2.9071e-03 -6.0000e+00 3.1020e-02 5.9831e-04 -7.5586e-04 5.5137e-05 3.4782e-05 -6.0000e+00 2.2886e-03 1.0188e-03 0.0000e+00 11 8 0 10 0 0 99.99 19.56 0.19 0.00102 -0.00466 134 25 1 5 0 377.000 25.90 20.02 19.56 32.40 36.6 1085.76 -22583 -21680 37460 -37006 -10776 7076 -10883 22071 -29854 -14636 -21069 -6407 -13279 -27693 11858 -2718 -8313 1422 14379 6812 8001 597 2397 -6979 -516 -1987 11057 -1981 -3139 -7375 1042 4710 -1401 -3057 -1143 8025 -879 -535 1890 694 -2524 155 -2827 -1190 -515 1665 -1992 -49 912 1411 789 461 -173 3022 2204 1378 1142 1342 384 319 1441 2139 1134 -462 83 -1311 1571 -619 1602 1006 -414 -97 112 -1020 39 -481 -76 2003 1173 -61 -1098 585 -1498 -919 -1665 -741 -1387 -774 -687 -512 70 19 660 1319 1873 1479 896 772 -192 -545 -567 -680 -47 959 -173 -904 -438 -654 -181 335 90 -444 -213 11 -94 384 919 1026 477 -453 -895 -438 103 76 -113 80 260 1258 862 265 405 180 368 220 242 -257 -210 242 -342 -727 -89 -230 -73 154 -741 -804 872 -1675 -365 194 -362 602 -1453 -672 -1068 -297 -730 -2029 711 -212 -748 125 1189 634 765 62 250 -830 -62 -256 1292 -257 -398 -961 131 634 -222 -523 -194 1229 -150 -102 414 180 -759 49 -967 -413 -179 575 -711 -17 318 498 292 182 -74 1334 1029 671 574 682 197 162 726 1112 639 -284 54 -857 963 -375 966 656 -300 -75 88 -809 30 -345 -50 1228 721 -40 -812 470 -1324 -856 -1632 -759 -1497 -866 -783 -581 77 20 647 1232 1748 1467 968 909 -244 -727 -755 -867 -56 1104 -203 -1120 -565 -874 -251 484 137 -710 -347 17 -145 567 1308 1455 698 -694 -1426 -704 163 118 -173 119 373 1746 1209 391 632 295 620 380 430 -475 -401 472 -677 -1448 -174 -440 -136 282 SS 20230909T121749.5Z 8652.512378 267 1 50.35 2 70.49 100.13 15.32 148.02 0.00 1 0.00 1 0 25 1.144e-01 1.037e-02 2.540e-02 2.605e-03 3.756094e-01 1.362741e-03 4.434805e-03 -6.000000e+00 6.835294e-02 229.75 -2.00 3.51 -2.00 319.02 0.00e+00 7.697453e-04 3.291431e-04 1.641311e-04 -6.000000e+00 3.074293e-03 288.44 -2.00 20.00 -2.00 318.20 0.00e+00 2.960 0.000 302.00 328.00 3 3.9729e+00 3.7931e-03 3.5517e-02 -6.0000e+00 1.7014e-01 9.4782e-03 4.3960e-03 1.9803e-02 -6.0000e+00 1.8387e-01 2.2121e-03 3.0495e-03 9.6390e-03 -6.0000e+00 1.0985e-01 -6.1536e-03 1.5755e-03 2.7909e-03 -6.0000e+00 4.6263e-02 3.2975e-04 -7.2209e-04 8.1531e-05 3.3448e-05 -6.0000e+00 3.4142e-03 2.0416e-03 0.0000e+00 12 8 8 10 0 0 100.00 19.56 0.35 0.00204 -0.00338 101 19 1 5 0 498.360 26.00 19.98 19.56 32.61 36.5 1086.70 -24134 -30506 84108 -37825 12299 18784 -6395 40422 -868 392 -27984 -14144 -25211 -34841 21520 5342 -14727 -1305 19998 14999 11134 4701 480 -13448 1039 -3219 23710 -5049 -1190 -13824 1079 2109 2301 -6483 -701 10789 -4012 -2037 1607 4940 -3936 559 -4386 -2775 -2320 3759 -2200 971 2161 2600 1565 -2085 -1018 4046 3442 1396 3694 1785 2475 1103 904 2645 1368 -408 294 -2153 1829 -696 259 1690 -590 822 371 -1169 1061 -962 1059 2340 1135 -1345 -1279 813 -1041 -1043 -2294 -479 -1833 -560 -1403 -515 -344 -174 314 1511 1037 1082 269 410 -318 -672 -345 -890 220 914 357 -508 -361 -1144 251 929 225 -662 -46 -67 -431 390 628 1524 311 -282 -944 -538 584 381 119 -36 255 939 375 -294 882 482 572 719 249 -280 -273 185 -286 -671 -512 -422 -106 273 -920 -1400 1453 -1956 382 522 -228 1042 -36 17 -1674 -777 -1697 -2974 1286 420 -1516 -127 1686 1389 1102 502 54 -1802 130 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