File name: Pandora55s1_QueensNY_20250102_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20250103T050658.5Z 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_20250102_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: 20250102 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 20250102T132606.7Z 9133.559800 72 1 36.79 2 80.60 131.47 102.62 106.06 0.00 1 0.00 1 0 25 6.664e-01 1.393e-02 1.743e-01 2.722e-03 8.360866e-01 1.512032e-03 9.262466e-03 -6.000000e+00 3.944898e-01 223.36 -2.00 3.51 -2.00 321.30 0.00e+00 7.026901e-03 7.379604e-04 2.162609e-03 -6.000000e+00 1.787459e-02 276.14 -2.00 20.00 -2.00 320.84 0.00e+00 5.830 0.004 302.00 328.00 3 6.9237e-01 5.0003e-03 7.4394e-02 -6.0000e+00 9.7281e-01 2.4669e-01 7.2777e-03 5.0406e-02 -6.0000e+00 1.0610e+00 -2.6146e-01 7.9916e-03 2.4748e-02 -6.0000e+00 6.3000e-01 1.0023e-01 3.7654e-03 1.1921e-02 -6.0000e+00 2.6368e-01 3.3032e-04 -1.3866e-03 7.3802e-05 1.1840e-04 -6.0000e+00 2.0306e-02 3.8411e-03 0.0000e+00 12 9 9 12 1 1 -2.33 15.66 0.17 0.00384 -0.00658 83 22 1 5 0 437.790 25.90 19.99 15.66 8.41 36.1 1033.87 -245246 -270294 900000 -288134 -104059 -76969 -214055 900000 -199204 -149256 -262284 -184644 -227778 -61181 900000 -71340 -152228 17829 900000 107987 -88196 -29986 22254 -96044 9353 -47663 900000 -45690 -52191 -91124 -26505 -931 -13819 -7176 -18161 65529 -26601 -4821 -5028 42186 -11640 14471 -13104 324 7709 37104 -139 18026 17989 17907 7638 8925 3779 19063 17940 7661 12536 8605 10556 4916 -64 11852 3172 1136 7090 224 7752 2393 3426 4911 3115 3852 3409 -1430 3981 -127 3064 3880 946 -1232 -189 2429 -1476 -1423 -2484 -839 -3031 -867 -2195 -393 -11 -453 863 1019 -205 -732 -627 -191 -680 -647 -970 -752 422 931 53 -1402 -1234 -1150 -469 480 -457 -1035 -351 -72 -215 559 1071 915 650 -198 -639 -328 747 978 57 71 447 1657 638 28 815 402 570 367 200 -375 -110 131 -480 -637 -332 4 15 -245 -2039 -3543 900000 -5189 -313 -204 -1845 900000 -1820 -926 -5111 -1993 -4664 -351 900000 -763 -4130 112 900000 343 -1880 -378 174 -2417 95 -877 900000 -861 -1064 -2866 -544 -19 -379 -209 -611 1007 -987 -165 -205 1333 -692 752 -940 22 497 1885 -10 1190 1268 1371 708 918 456 2211 2274 1126 1834 1323 1576 753 -10 1799 582 243 1604 57 1873 619 938 1483 1067 1414 1285 -550 1363 -41 895 1095 292 -443 -79 1149 -814 -850 -1584 -554 -2136 -623 -1622 -284 -8 -302 547 643 -138 -555 -544 -188 -742 -755 -1141 -841 432 886 50 -1400 -1290 -1256 -541 598 -632 -1558 -555 -116 -341 860 1610 1386 1012 -320 -1055 -534 1167 1485 85 103 635 2301 927 45 1428 761 1138 766 437 -858 -258 313 -1162 -1536 -780 9 33 -515 SS 20250102T133651.6Z 9133.567264 78 1 50.38 2 79.10 133.47 100.72 107.62 0.00 1 0.00 1 0 25 4.527e-01 8.309e-03 7.931e-02 1.265e-03 7.510212e-01 6.820521e-04 8.520835e-03 -6.000000e+00 2.640858e-01 223.36 -2.00 3.51 -2.00 320.83 0.00e+00 4.319553e-03 2.958997e-04 1.856815e-03 -6.000000e+00 1.170492e-02 276.14 -2.00 20.00 -2.00 320.36 0.00e+00 5.096 0.002 302.00 328.00 3 3.5976e-01 2.1183e-03 6.4936e-02 -6.0000e+00 6.5043e-01 1.2534e-01 2.8907e-03 4.2745e-02 -6.0000e+00 7.0772e-01 -8.8328e-02 3.0995e-03 2.0973e-02 -6.0000e+00 4.2205e-01 2.3459e-02 1.5128e-03 8.8618e-03 -6.0000e+00 1.7852e-01 1.0156e-03 -1.0919e-03 3.4583e-05 8.9203e-05 -6.0000e+00 1.3500e-02 4.2276e-03 0.0000e+00 11 9 0 11 8 0 60.43 15.63 0.22 0.00423 -0.00398 277 52 1 5 0 181.840 25.90 20.00 15.63 9.37 36.5 1039.68 -183123 -198791 900000 -222811 -38620 -176478 -62274 -99422 -71607 -154867 -150940 -118009 -127217 -49380 -31056 -11459 -81458 -31018 -6666 21710 -57256 -8163 -15287 -48274 -21977 -39734 51042 -39949 -11492 -49604 -4224 -17467 2753 -10134 -2877 13829 -9436 -3894 -2391 5994 -7668 4541 -7388 2842 -1752 8350 -1465 3822 3709 3987 5233 1399 3313 3985 7540 538 4331 149 2526 -615 -246 3891 1324 1443 1159 1683 2014 2050 1722 2374 470 1041 126 -720 559 -1531 1567 342 2024 -503 646 -47 -1508 -1345 -1769 -1120 -1749 -547 -1186 -471 -99 674 494 1602 705 966 448 594 -330 -687 -240 -434 698 622 129 -1202 -632 -1144 -131 3 -217 -446 -302 68 -33 760 858 1097 340 -229 -791 -378 180 -223 42 -31 464 1402 1095 -23 322 -114 408 163 110 -339 -183 218 -549 -521 -144 26 41 293 -1294 -2052 900000 -3139 -91 -1604 -189 -491 -305 -1685 -1727 -1112 -1656 -393 -272 -104 -1634 -470 -88 234 -1307 -127 -264 -1142 -478 -1022 601 -1081 -258 -1592 -109 -586 91 -432 -119 479 -430 -192 -141 396 -627 367 -726 265 -176 781 -157 405 418 483 692 217 567 749 1484 112 905 33 541 -133 -53 850 333 415 373 567 678 699 629 969 207 493 62 -349 249 -633 613 130 799 -218 330 -28 -984 -961 -1355 -852 -1417 -458 -1019 -397 -80 539 374 1181 555 809 440 639 -385 -870 -304 -515 778 640 132 -1319 -731 -1334 -162 4 -320 -696 -501 114 -55 1180 1285 1644 534 -379 -1352 -635 288 -344 66 -46 670 1966 1609 -37 553 -208 798 326 234 -740 -419 511 -1257 -1186 -328 55 85 587 SS 20250102T134233.3Z 9133.571218 81 1 10.51 2 78.32 134.55 99.72 108.45 0.00 1 0.00 1 0 25 4.698e-01 9.005e-03 1.489e-01 2.647e-03 7.056093e-01 1.413620e-03 8.049308e-03 -6.000000e+00 2.758476e-01 223.36 -2.00 3.51 -2.00 320.57 0.00e+00 4.244273e-03 5.662382e-04 1.459686e-03 -6.000000e+00 1.223128e-02 276.14 -2.00 20.00 -2.00 320.07 0.00e+00 4.784 0.002 302.00 328.00 3 6.5416e-01 4.2751e-03 6.0561e-02 -6.0000e+00 6.7912e-01 1.1420e-01 5.5970e-03 3.9134e-02 -6.0000e+00 7.3918e-01 -8.3189e-02 5.7433e-03 1.9343e-02 -6.0000e+00 4.3942e-01 2.4306e-02 2.8596e-03 8.1709e-03 -6.0000e+00 1.8527e-01 1.0636e-03 -1.0614e-03 7.3509e-05 7.9637e-05 -6.0000e+00 1.4063e-02 4.0460e-03 0.0000e+00 12 9 1 12 1 1 98.48 15.69 0.19 0.00405 -0.00393 46 43 1 5 0 223.470 25.90 19.99 15.69 9.71 36.2 1040.51 -159994 -156906 900000 -193864 286139 -172703 900000 -142132 75068 -138749 -90913 -105409 -106065 -15469 -6398 67771 -52286 33088 -21234 59872 -46239 9714 -13730 -17324 1610 -18600 44874 -37779 13915 -39105 22750 -12388 9645 -12712 7875 6289 -8748 1490 -3458 6788 -7418 8046 -8307 3920 -4933 7930 -4427 3828 2436 5744 5618 -594 4579 3775 6500 66 4731 -505 2750 65 -83 3368 1647 2148 413 1961 561 1646 1299 1928 332 -153 -511 -1283 961 -543 1618 44 1959 -961 356 -359 -1287 -1908 -1158 -1057 -1620 -116 -1170 -313 -677 1167 253 1453 852 847 484 758 -356 -605 -208 -509 824 601 2 -1184 -470 -1217 67 -153 -47 -472 -287 143 -431 708 999 1071 571 -194 -1021 -407 117 -207 128 42 735 1056 892 -107 418 16 454 289 201 -366 -434 259 -520 -562 -123 46 -16 293 -1488 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