File name: Pandora55s1_QueensNY_20240103_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T130159.5Z 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 v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240103_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: 20240103 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 20240103T133530.4Z 8768.566324 303 1 50.55 2 79.28 133.18 60.29 237.13 0.00 1 0.00 1 0 25 5.764e-01 1.203e-02 1.482e-01 2.491e-03 7.676654e-01 1.369253e-03 8.619809e-03 -6.000000e+00 3.389624e-01 223.39 -2.00 3.51 -2.00 321.13 0.00e+00 6.378357e-03 6.367402e-04 2.890389e-03 -6.000000e+00 1.545624e-02 276.08 -2.00 20.00 -2.00 320.66 0.00e+00 5.176 0.002 302.00 328.00 3 1.3992e+00 4.4214e-03 6.7953e-02 -6.0000e+00 8.3507e-01 1.8015e-01 6.1995e-03 4.8792e-02 -6.0000e+00 9.1042e-01 -1.6703e-01 6.6631e-03 2.2051e-02 -6.0000e+00 5.4271e-01 5.9812e-02 3.1924e-03 1.0931e-02 -6.0000e+00 2.2800e-01 3.2224e-04 -1.3375e-03 6.9787e-05 9.8450e-05 -6.0000e+00 1.7303e-02 4.3655e-03 0.0000e+00 12 8 8 10 0 0 99.88 22.74 0.25 0.00437 -0.00568 150 28 1 5 0 336.890 26.11 20.00 22.74 8.45 34.9 964.96 -259725 -206865 900000 -216975 -91770 -167468 -159127 52658 -78659 -153520 -204923 -175503 -168162 -163121 900000 -83265 -94071 -99746 900000 116885 24034 5049 -625 -72984 -46053 -25050 900000 -10732 -38932 -79299 -12700 12121 -618 -22623 6861 49901 -5124 -22277 8679 11914 -3758 9949 -8706 466 4160 22145 -3479 17678 7081 17380 4815 5702 -2724 14951 13665 5735 9907 1932 9569 389 8310 7420 4804 -1574 5773 -1115 4676 361 1339 4297 -2274 2199 2135 -1208 1669 -634 1256 4815 954 -1311 -807 2036 -303 -1428 -1418 -1862 -1603 -1885 -1117 -431 -125 305 410 1679 671 548 -435 -203 -657 -556 -493 -447 244 1565 411 -1316 -337 -1742 -359 354 64 -1198 -338 -398 -344 585 873 969 286 -151 -988 -82 477 851 99 13 460 1291 996 -211 608 139 742 220 388 -362 -93 339 -313 -705 -109 -237 -156 -117 -3567 -2137 900000 -2869 -354 -1293 -1169 128 -329 -1443 -3373 -2482 -2783 -3386 900000 -1344 -1989 -2525 900000 457 238 61 -8 -1974 -1046 -497 900000 -195 -930 -2928 -295 275 -19 -946 228 1104 -194 -1111 389 617 -258 667 -741 38 340 1585 -324 1421 664 1595 544 711 -408 2091 2086 990 1719 364 1669 72 1440 1362 1005 -396 1504 -326 1301 106 413 1435 -896 898 893 -509 647 -231 413 1484 322 -510 -365 1033 -176 -906 -950 -1321 -1190 -1457 -874 -332 -93 216 276 1106 468 427 -388 -204 -737 -665 -591 -510 256 1517 400 -1353 -361 -1970 -427 453 89 -1846 -543 -648 -550 900 1311 1458 445 -244 -1641 -134 754 1302 148 19 654 1793 1437 -334 1055 261 1460 453 835 -816 -216 802 -746 -1682 -253 -528 -331 -244 SS 20240103T134044.9Z 8768.569965 306 1 50.47 2 78.56 134.17 61.13 238.25 0.00 1 0.00 1 0 25 4.083e-01 7.078e-03 9.731e-02 1.143e-03 7.318742e-01 6.110162e-04 8.294482e-03 -6.000000e+00 2.382071e-01 223.39 -2.00 3.51 -2.00 320.70 0.00e+00 3.598230e-03 2.535567e-04 1.706585e-03 -6.000000e+00 1.055251e-02 276.08 -2.00 20.00 -2.00 320.20 0.00e+00 4.877 0.002 302.00 328.00 3 4.2537e-01 1.8709e-03 6.2295e-02 -6.0000e+00 5.8674e-01 1.1506e-01 2.5066e-03 4.0972e-02 -6.0000e+00 6.3839e-01 -7.5475e-02 2.6352e-03 2.0200e-02 -6.0000e+00 3.8068e-01 1.7161e-02 1.2990e-03 7.9763e-03 -6.0000e+00 1.6103e-01 1.1928e-03 -9.8579e-04 3.1380e-05 8.0628e-05 -6.0000e+00 1.2173e-02 3.3621e-03 0.0000e+00 11 8 0 10 0 0 89.74 22.73 0.22 0.00336 -0.00405 286 54 1 5 0 176.440 26.11 20.00 22.73 8.74 34.9 967.34 -195415 -163171 900000 -176673 -110828 -95465 -141325 91460 -114843 -100862 -137414 -84535 -114411 -81904 -18669 -42407 -48322 -33584 6466 -6648 -15756 -19309 -17853 -36323 -21761 -19821 15436 -24013 -22741 -30402 -10930 -2534 -3558 -11257 -2421 7606 -9295 -6911 262 61 -4738 612 -5020 -851 -2065 3254 -1778 2123 2645 2250 2767 2692 512 5427 3951 1716 2035 461 1107 947 2051 3195 2640 1141 1404 464 2319 678 2211 1639 -154 226 141 -691 -128 -189 674 1408 776 -43 -204 106 -1460 -1355 -1686 -1383 -1395 -708 -425 -316 133 641 760 1398 1021 641 445 730 -308 -232 -274 -335 173 918 -210 -1206 -613 -981 -202 143 -43 -552 -276 -52 50 606 904 837 422 -296 -733 -491 68 8 -86 26 210 1459 758 -19 312 -23 404 175 150 -405 -140 186 -401 -444 -128 -154 139 231 -1843 -1385 900000 -2000 -680 -488 -1195 102 -960 -815 -1614 -723 -1521 -1040 -179 -596 -858 -588 84 -107 -291 -378 -355 -935 -532 -513 293 -680 -640 -978 -335 -88 -150 -536 -118 333 -466 -386 17 5 -449 61 -573 -98 -231 379 -210 251 330 303 408 447 98 1088 870 410 506 111 280 234 501 816 712 356 486 170 835 251 857 675 -73 116 74 -359 -62 -83 284 566 329 -20 -112 64 -1016 -977 -1302 -1131 -1207 -605 -369 -271 115 517 578 1038 802 571 440 793 -366 -297 -353 -403 195 950 -219 -1338 -717 -1162 -256 191 -61 -882 -449 -86 80 957 1373 1274 670 -477 -1219 -806 111 12 -130 39 307 2063 1126 -30 543 -43 773 342 313 -872 -317 415 -910 -1002 -288 -327 284 473 SS 20240103T134613.8Z 8768.573771 309 1 50.43 2 77.83 135.21 62.02 239.39 0.00 1 0.00 1 0 25 3.234e-01 6.698e-03 4.880e-02 9.607e-04 6.942165e-01 5.091156e-04 7.937029e-03 -6.000000e+00 1.887155e-01 223.39 -2.00 3.51 -2.00 320.50 0.00e+00 3.129946e-03 1.987672e-04 1.226523e-03 -6.000000e+00 8.260648e-03 276.08 -2.00 20.00 -2.00 320.00 0.00e+00 4.603 0.002 302.00 328.00 3 4.0029e-01 1.5304e-03 5.8532e-02 -6.0000e+00 4.6483e-01 1.0042e-01 1.9819e-03 3.7702e-02 -6.0000e+00 5.0574e-01 -6.3764e-02 2.0047e-03 1.8817e-02 -6.0000e+00 3.0138e-01 1.3655e-02 1.0035e-03 7.1341e-03 -6.0000e+00 1.2700e-01 1.6505e-03 -8.7070e-04 2.6732e-05 7.6512e-05 -6.0000e+00 9.6365e-03 2.5449e-03 0.0000e+00 11 8 0 10 0 0 11.33 22.73 0.25 0.00254 -0.00400 353 67 1 5 0 142.830 26.11 20.00 22.73 9.38 35.0 970.20 -163347 -121624 1836 -122042 -113270 -71647 -125572 -1084 -83696 -91710 -105490 -80510 -83706 -76597 -6205 -41624 -24165 -39651 18456 -6328 -2023 -13488 -10790 -31464 -14387 -12979 -560 -15378 -19279 -16871 -12222 -448 -7979 -4476 -1833 2885 -5268 -5709 1291 -7 -1784 -771 -1795 -1903 -554 2095 -467 1675 2314 3367 1297 2536 857 4000 2710 2236 1905 467 465 399 1078 1928 2019 337 1264 554 1847 811 2332 1661 245 499 -167 -581 -460 -347 520 1169 790 -102 -466 77 -1470 -1394 -1565 -1231 -1010 -804 -493 -457 -72 357 1003 1289 1154 696 668 748 -300 -260 -395 -296 151 869 -325 -1068 -535 -779 -151 -80 -40 -552 -162 -45 74 596 879 891 495 -322 -665 -397 -44 -87 -140 19 325 1436 813 124 311 0 336 110 115 -454 -198 178 -393 -501 -171 21 174 213 -1628 -1083 5 -1258 -1030 -416 -1306 -4 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