File name: Pandora55s1_QueensNY_20211114_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T105050.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20211114_L1_smca1c19d20211111p1-8.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: 20211114 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: None First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 20211114T123514.2Z 7988.524470 140 1 49.68 2 81.86 122.90 143.36 340.75 0.00 1 0.00 1 0 25 6.502e-01 2.372e-02 2.631e-01 4.261e-03 8.568246e-01 2.450341e-03 9.566962e-03 -6.000000e+00 3.908713e-01 223.36 -2.00 3.51 -2.00 321.74 0.00e+00 1.259357e-02 1.371925e-03 5.979833e-03 -6.000000e+00 1.861355e-02 280.67 -2.00 20.00 -2.00 321.26 0.00e+00 6.619 0.005 302.00 328.00 3 6.3944e-01 8.9786e-03 9.1451e-02 -6.0000e+00 9.6970e-01 5.3144e-01 1.2898e-02 7.8104e-02 -6.0000e+00 1.0638e+00 -6.9985e-01 1.3099e-02 2.5131e-02 -6.0000e+00 6.2694e-01 2.8787e-01 5.9951e-03 1.7175e-02 -6.0000e+00 2.5856e-01 1.5714e-04 -3.1622e-03 1.1903e-04 1.4088e-04 -6.0000e+00 2.0257e-02 -9.6226e-04 -8.2255e-05 12 9 8 11 8 0 91.43 22.68 0.30 -0.00096 -0.02472 89 17 1 5 0 558.100 25.58 20.00 22.68 9.95 29.6 962.86 -9218 -152817 900000 -286057 900000 -161391 -72395 900000 900000 -147108 -222365 -126459 -197103 80107 900000 184776 -161858 900000 900000 900000 130128 41063 131555 -55912 35809 -65117 900000 -40885 15301 -104823 81129 112235 43135 -40202 62611 900000 3432 28040 166168 73485 -16596 81788 -14626 27061 36128 228755 -560 65564 61529 55173 35333 22320 26899 51395 55536 29812 41877 23633 35076 19154 11588 37883 12936 9641 18321 4864 20394 10886 11662 14696 1049 6918 12014 -3586 18319 -2603 11592 10621 7556 -12 1840 7402 2064 1650 -5218 -1828 -5879 -28 -5378 -127 -2594 -157 -2228 1735 -1653 -1381 -4336 -2086 -822 -3183 -185 -1323 1202 1870 1462 -2157 -2464 -1701 -1266 908 -733 -2337 -1502 -105 -893 3 897 2052 -282 206 -726 -327 2208 2544 905 897 1224 1605 1645 -516 230 1133 1154 1094 672 -160 -266 108 -450 -654 -457 -409 -554 -801 -38 -1611 900000 -11499 900000 -1712 -316 900000 900000 -1496 -4853 -1249 -4844 332 900000 767 -7395 900000 900000 900000 540 350 546 -1210 332 -1615 900000 -805 180 -4166 662 851 763 -1728 1041 900000 99 708 1317 1651 -974 2105 -974 1281 1615 1694 -37 2508 2597 2677 2261 1790 2292 3799 4231 2986 3868 2571 3360 2069 1346 3655 1764 1551 3038 964 3545 2112 2401 3281 296 1977 3332 -1106 4299 -675 2427 2204 1733 -3 614 2731 900 786 -2795 -1003 -3501 -17 -3371 -75 -1514 -85 -1183 893 -941 -894 -3349 -1823 -800 -3389 -193 -1317 1071 1539 1199 -1909 -2305 -1665 -1330 1033 -945 -3365 -2279 -160 -1358 5 1288 2945 -427 323 -1165 -516 3293 3661 1287 1244 1657 2148 2315 -818 406 2165 2351 2342 1521 -381 -658 271 -1139 -1649 -1121 -953 -1225 -1728 SS 20211114T125343.1Z 7988.537304 146 1 48.31 2 78.98 126.25 144.19 348.09 0.00 1 0.00 1 0 25 2.963e-01 7.220e-03 6.589e-02 1.278e-03 6.877761e-01 6.842602e-04 7.989879e-03 -6.000000e+00 1.735659e-01 223.36 -2.00 3.51 -2.00 320.68 0.00e+00 3.264915e-03 2.895336e-04 2.204660e-03 -6.000000e+00 7.805156e-03 280.67 -2.00 20.00 -2.00 320.11 0.00e+00 5.045 0.002 302.00 328.00 3 2.9992e-01 2.1280e-03 6.2694e-02 -6.0000e+00 4.2737e-01 8.0154e-02 2.8261e-03 3.9978e-02 -6.0000e+00 4.6542e-01 -4.3411e-02 2.8536e-03 1.8571e-02 -6.0000e+00 2.7703e-01 4.7298e-03 1.4041e-03 6.9034e-03 -6.0000e+00 1.1678e-01 1.2324e-03 -2.2073e-03 3.5930e-05 7.1985e-05 -6.0000e+00 8.9841e-03 -7.8787e-04 -8.2125e-05 11 8 0 10 0 0 10.47 22.69 0.25 -0.00079 -0.01737 250 47 1 5 0 193.180 25.58 20.00 22.69 11.55 29.9 972.32 -66119 -105950 900000 -169846 -82956 -51169 -123929 900000 -55534 -90203 -132418 -49959 -92728 -36998 7446 -16532 -47706 -26144 24411 -9503 -1129 -17682 -2113 -24246 -12570 -21577 15706 -19737 -19155 -28819 -2988 -1428 -6638 -11355 -6786 10431 -3763 -3439 5099 -3307 -7154 -912 -4091 -4028 -88 3827 -2089 2314 2332 4443 1011 453 47 4350 3607 1400 1414 260 648 -153 1557 3261 1955 650 780 308 2570 821 2919 1917 284 -372 -227 -1348 -247 -320 1699 1868 1360 793 -125 190 -1279 -1512 -1738 -1164 -1291 -492 -922 -597 20 608 785 1449 1560 1044 512 719 -263 -676 -338 -269 507 1208 -324 -1094 -854 -851 -142 213 -170 -655 -279 -72 153 875 1053 1091 375 -391 -892 -580 -116 -218 27 42 288 1546 1012 -39 161 -47 243 319 140 -354 -244 75 -421 -529 -112 -42 284 265 -227 -660 900000 -2101 -448 -197 -1043 900000 -306 -778 -1752 -358 -1271 -380 63 -222 -947 -474 319 -173 -20 -375 -40 -614 -311 -629 327 -587 -569 -1000 -93 -53 -309 -617 -362 465 -203 -214 355 -282 -737 -98 -487 -501 -11 463 -277 305 324 647 167 79 9 898 809 340 357 67 166 -39 389 852 581 208 275 113 916 300 1115 833 133 -189 -119 -693 -125 -147 699 739 569 382 -68 119 -869 -1124 -1380 -926 -1090 -431 -826 -525 17 502 611 1101 1252 901 515 791 -314 -867 -430 -319 565 1248 -342 -1234 -1017 -1023 -183 287 -246 -1048 -448 -115 249 1346 1562 1626 586 -621 -1464 -939 -187 -339 41 64 420 2178 1500 -63 279 -85 472 631 283 -767 -534 168 -958 -1199 -244 -89 589 533 SS 20211114T125956.2Z 7988.541623 149 1 47.80 2 78.04 127.41 144.38 350.62 0.00 1 0.00 1 0 25 2.426e-01 6.907e-03 3.848e-02 1.012e-03 6.416229e-01 5.347455e-04 7.500572e-03 -6.000000e+00 1.411483e-01 223.35 -2.00 3.51 -2.00 320.37 0.00e+00 2.289648e-03 2.050814e-04 1.523060e-03 -6.000000e+00 6.309864e-03 280.66 -2.00 20.00 -2.00 319.79 0.00e+00 4.678 0.002 302.00 328.00 3 2.6979e-01 1.6059e-03 5.7577e-02 -6.0000e+00 3.4706e-01 6.4096e-02 2.0462e-03 3.5261e-02 -6.0000e+00 3.7771e-01 -3.0788e-02 1.9637e-03 1.6965e-02 -6.0000e+00 2.2569e-01 9.2598e-04 9.8656e-04 5.6496e-03 -6.0000e+00 9.5225e-02 1.8913e-03 -2.0108e-03 2.8738e-05 6.5822e-05 -6.0000e+00 7.2362e-03 -1.9366e-03 -7.8514e-05 11 8 0 10 0 0 -5.92 22.69 0.24 -0.00194 -0.01705 310 59 1 5 0 154.170 25.58 20.00 22.69 12.02 29.8 973.98 -114395 -41796 -58576 -93746 -77168 -85080 -93290 -49586 -36185 -89682 -74102 -74287 -43930 -56696 -2092 -29309 -30705 -16020 8633 -7055 -9910 -3597 -14680 -7976 -15512 -7940 -2697 -5045 -16070 -14999 -6306 -111 1755 -9355 41 1367 -1348 -4459 4357 -2701 -1934 -2031 -2001 -1617 -1374 2483 -2592 2689 166 3753 -274 2327 204 3137 1540 835 1759 -475 1086 -555 2100 1494 3033 750 1040 862 1827 1274 2044 1609 -339 4 -742 -569 -197 50 451 1589 1442 247 92 -317 -1188 -1482 -1258 -1257 -846 -976 -719 -615 2 511 676 1459 1243 1503 493 805 -473 -553 -505 -143 330 977 -216 -1337 -522 -974 8 84 -173 -591 -211 24 178 821 1053 983 241 -439 -951 -438 -248 -161 -15 51 492 1567 904 -21 336 -99 417 124 310 -432 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