File name: Pandora55s1_QueensNY_20220405_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T115130.3Z 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_20220405_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: 20220405 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 20220405T113338.3Z 8130.481693 70 1 49.93 2 79.24 91.11 102.11 47.52 0.00 1 0.00 1 0 17 9.249e-01 6.033e-02 2.967e-01 1.468e-02 7.731983e-01 8.838626e-03 8.848106e-03 -6.000000e+00 5.787193e-01 227.81 -2.00 3.51 -2.00 321.52 0.00e+00 2.086960e-02 3.985684e-03 4.226207e-03 -6.000000e+00 2.937581e-02 279.30 -2.00 20.00 -2.00 321.02 0.00e+00 5.156 0.002 302.00 328.00 3 3.6115e+00 2.9052e-02 7.9173e-02 -6.0000e+00 1.4516e+00 1.1736e+00 3.3524e-02 7.9476e-02 -6.0000e+00 1.5946e+00 -1.4970e+00 2.2604e-02 2.0018e-02 -6.0000e+00 9.2268e-01 5.9969e-01 1.1746e-02 2.5550e-02 -6.0000e+00 3.8245e-01 2.7177e-05 -5.7303e-03 4.4707e-04 2.5302e-04 -6.0000e+00 3.0139e-02 8.0891e-03 -3.0556e-04 12 8 8 10 0 0 99.99 22.58 0.58 0.00809 -0.03497 37 7 1 5 0 1349.210 25.58 19.99 22.58 15.86 31.1 1087.95 900000 213494 900000 -14928 900000 900000 -4797 900000 900000 900000 -8520 284944 -44508 228974 900000 900000 -36458 -62155 900000 900000 197098 299540 900000 28594 147820 65924 900000 159478 131676 -58135 110334 900000 900000 12416 165826 900000 36399 94909 900000 900000 36105 900000 -5943 118980 101897 900000 40219 489500 900000 144651 108173 21182 39117 216292 900000 69074 900000 147975 229281 52173 51138 257366 21118 15868 97848 -266 72510 10893 33843 22183 -3518 14984 57002 -4598 67298 4087 56126 72367 4609 1750 -12819 30960 12959 13296 -14797 4472 -13591 -3956 -14694 2293 -13397 1286 -7425 5445 -2863 -1143 -13514 -8670 4630 -6123 1532 -3019 -1587 7378 10928 1990 -7982 -455 -47 11263 -69 -9149 -1261 -2819 -2539 108 -2252 7456 -1084 -684 -3110 1311 8393 12476 3232 -2963 708 221 513 -4880 1935 4812 4890 3569 513 -2407 -168 2274 605 -1447 -1164 -2687 -140 -2766 900000 3043 900000 -1501 900000 900000 -283 900000 900000 900000 -395 4061 -3517 3263 900000 900000 -5471 -12467 900000 900000 3574 4269 900000 1919 3125 2789 900000 2557 2704 -7099 3326 900000 900000 1303 4169 900000 2693 4319 900000 900000 3632 900000 -935 6159 6199 900000 4371 6976 900000 6655 7296 3372 5659 6561 900000 8224 900000 8301 5834 6445 6345 5098 3989 3507 11197 -77 10609 2775 7248 5772 -1267 4797 12513 -1698 11894 1162 9043 9710 1205 535 -5264 9776 5381 5904 -8935 2378 -8914 -2468 -10249 1355 -8791 695 -4104 2635 -1577 -701 -10790 -7666 4094 -6418 1509 -2908 -1372 5456 7771 1609 -7451 -420 -46 11107 -85 -13366 -1816 -4190 -3692 147 -3078 9443 -1541 -1017 -4841 1943 11280 15580 4263 -4004 898 277 672 -7455 3140 8351 9070 7045 1097 -5569 -397 5364 1458 -3528 -2743 -6075 -291 -5683 SS 20220405T120901.2Z 8130.506264 85 1 4.81 2 72.55 97.00 97.04 53.69 0.00 1 0.00 1 0 25 2.464e-01 1.095e-02 1.589e-01 5.674e-03 5.410492e-01 2.969650e-03 6.283171e-03 -6.000000e+00 1.458965e-01 227.81 -2.00 3.51 -2.00 319.45 0.00e+00 1.721398e-03 8.302654e-04 4.085685e-04 -6.000000e+00 6.376516e-03 279.30 -2.00 20.00 -2.00 318.84 0.00e+00 3.287 0.001 302.00 328.00 3 2.6139e+00 8.3414e-03 4.3400e-02 -6.0000e+00 3.6259e-01 6.0722e-02 9.8279e-03 2.8355e-02 -6.0000e+00 3.9336e-01 -3.8966e-02 7.9868e-03 1.3990e-02 -6.0000e+00 2.3405e-01 9.4946e-03 4.1742e-03 4.4873e-03 -6.0000e+00 9.7790e-02 7.3077e-04 -5.5807e-04 1.6628e-04 5.0306e-05 -6.0000e+00 7.3579e-03 -7.4615e-04 1.8393e-04 12 9 9 12 1 1 -54.57 22.58 0.25 -0.00075 -0.00494 4 10 1 5 0 926.890 25.58 20.00 22.58 16.79 31.0 1092.98 -99913 137385 115136 -51817 -43897 4787 -62072 36698 -23618 -40268 14717 -59103 -2114 -46129 140831 -15134 -20053 -23550 9284 13789 8200 12561 -344 1009 -16336 10850 2453 16700 -11527 -4288 883 2902 8871 -15707 7631 4423 1945 -6957 9272 -1082 -3211 -1895 -3712 -2043 -800 7250 -4693 4750 425 5864 -2431 1187 -3208 5236 2195 1366 3390 1150 2229 -3459 3016 1871 2787 -1081 1792 -159 2355 1158 472 1892 -1008 376 -1250 144 -213 420 399 3295 -76 -1208 -1121 -721 -1006 -1784 -732 -1853 -1375 -1206 -180 -1140 298 450 -141 1390 838 1324 -119 1841 -623 -492 -446 -581 5 1192 201 -2012 452 -1446 980 -101 773 -1250 424 -325 180 831 967 614 348 -135 -1304 -2 -623 343 -256 -180 987 1307 948 -386 570 540 522 -116 305 -997 622 145 -588 -364 -69 -429 -485 454 -2812 760 637 -1177 -881 59 -1491 390 -498 -1077 249 -2160 -53 -2145 1393 -755 -1171 -1551 485 733 475 712 -23 69 -1420 781 195 1155 -1012 -359 77 286 945 -2253 899 527 247 -1085 1486 -222 -758 -479 -1000 -560 -220 1893 -1367 1295 123 1683 -794 407 -1232 2007 911 591 1491 519 989 -1586 1320 864 1381 -599 1027 -93 1328 653 277 1190 -703 275 -941 106 -150 277 245 1905 -46 -800 -826 -584 -879 -1650 -702 -1866 -1438 -1299 -195 -1233 310 449 -134 1282 793 1336 -132 2190 -806 -660 -594 -743 6 1373 236 -2491 572 -1909 1329 -145 1167 -1996 686 -523 283 1252 1419 906 528 -212 -2109 -3 -988 530 -389 -267 1415 1834 1362 -590 922 913 910 -208 564 -1917 1219 290 -1188 -734 -136 -828 -907 833 SS 20220405T122719.0Z 8130.518970 98 1 49.49 2 69.12 100.16 94.26 56.71 0.00 1 0.00 1 0 25 8.392e-02 7.232e-03 1.880e-02 1.514e-03 4.641176e-01 7.876699e-04 5.457457e-03 -6.000000e+00 4.965134e-02 227.81 -2.00 3.51 -2.00 319.08 0.00e+00 1.138325e-03 1.935142e-04 4.496575e-04 -6.000000e+00 2.170899e-03 279.30 -2.00 20.00 -2.00 318.44 0.00e+00 2.778 0.000 302.00 328.00 3 3.0392e+00 2.1757e-03 3.6931e-02 -6.0000e+00 1.2339e-01 4.5600e-02 2.5193e-03 2.4299e-02 -6.0000e+00 1.3390e-01 -8.7056e-03 1.8892e-03 1.1900e-02 -6.0000e+00 7.9664e-02 -5.9599e-03 9.8974e-04 3.5563e-03 -6.0000e+00 3.3266e-02 8.5442e-04 -9.5789e-04 4.5626e-05 4.1540e-05 -6.0000e+00 2.5059e-03 -4.6482e-04 2.1108e-05 11 8 0 10 0 0 99.77 22.57 0.18 -0.00046 -0.00766 103 19 1 5 0 480.410 25.58 20.00 22.57 16.74 31.2 1092.81 -15239 -20368 53600 -43004 -20 -2186 -34451 20468 1289 -19516 -24027 -13268 -19211 -4093 14470 1485 -18967 1748 5326 9536 392 3672 -1034 -4214 -1300 -4982 9159 -3147 -1714 -6720 2276 3073 3019 -7205 -1522 7612 -693 -2047 1155 776 -3545 7 -4053 -1434 -1681 1665 -1561 1394 1013 1990 640 -98 569 1221 2537 715 2168 386 1631 556 1320 2335 1476 -101 -312 -570 280 491 1431 1029 -232 -128 -139 -984 -79 -814 972 1893 1207 -172 -278 -530 -1198 -1087 -1657 -980 -1092 -528 -867 -186 -347 545 395 1478 1219 1083 705 647 -444 -422 -328 -419 161 900 286 -992 -429 -546 128 169 -91 -616 -255 -37 -73 708 741 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