File name: Pandora55s1_QueensNY_20231119_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T124510.0Z 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_20231119_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: 20231119 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 20231119T124038.5Z 8723.528223 68 1 50.36 2 81.97 124.45 144.44 67.87 0.00 1 0.00 1 0 25 6.477e-01 2.135e-02 1.662e-01 3.626e-03 7.901159e-01 2.092771e-03 8.793877e-03 -6.000000e+00 3.931473e-01 223.21 -2.00 3.51 -2.00 321.56 0.00e+00 6.301674e-03 1.138892e-03 2.097135e-03 -6.000000e+00 1.942326e-02 280.11 -2.00 20.00 -2.00 321.07 0.00e+00 6.698 0.005 302.00 328.00 3 6.8518e-01 7.5078e-03 8.0205e-02 -6.0000e+00 9.7475e-01 3.1616e-01 1.0875e-02 4.9083e-02 -6.0000e+00 1.0697e+00 -4.5153e-01 1.1169e-02 2.3414e-02 -6.0000e+00 6.2918e-01 1.9075e-01 5.1311e-03 1.0416e-02 -6.0000e+00 2.5957e-01 1.6112e-04 -1.8722e-03 1.0677e-04 1.1570e-04 -6.0000e+00 2.0318e-02 5.5311e-05 0.0000e+00 12 9 8 11 4 0 -1.80 12.08 0.34 0.00006 -0.01401 90 17 1 5 0 559.520 26.21 20.00 12.08 11.30 34.8 971.63 -221578 -220291 900000 -264053 900000 900000 -178381 900000 900000 -128223 -229351 -117478 -196837 -245613 900000 211273 -118712 900000 900000 900000 900000 900000 133812 -99356 13550 -27588 900000 2841 5361 -81665 20917 43924 26211 1524 10262 900000 -4335 -9981 72990 86679 313 48062 -3919 24053 11791 99249 4854 41560 48841 49026 20000 15117 821 46006 40179 16708 30824 25004 22642 12541 18542 26445 12360 -472 17921 -998 18481 5028 5575 8767 1187 8656 8184 4 10465 1610 4467 9927 143 -352 -3378 5507 -304 -1225 -3606 -1794 -5017 -1977 -3662 412 -1184 -1299 283 1109 -737 61 -2017 -1149 -1217 -1540 -1200 -1568 230 1344 307 -1744 -1410 -2304 -1110 461 -354 -2016 -233 -237 -479 -44 1144 1809 593 -203 -1078 -58 1234 2157 758 377 785 1803 1065 -191 774 733 1206 871 431 -313 18 79 -337 -1011 -564 -378 -384 -261 -2655 -3193 900000 -6551 900000 900000 -1759 900000 900000 -991 -4993 -976 -4335 -11154 900000 745 -3084 900000 900000 900000 900000 900000 472 -3081 153 -487 900000 38 71 -2606 291 600 512 42 271 900000 -132 -357 1411 1757 16 1792 -253 1253 704 2685 326 2066 2403 2582 1512 1335 92 3724 3711 2014 3404 2946 2692 1598 2231 3096 1830 -89 3200 -224 3495 1096 1277 2178 354 2604 2551 1 2938 450 1115 2283 38 -106 -1242 2164 -143 -629 -2011 -1042 -3155 -1265 -2430 262 -740 -776 159 613 -437 40 -1561 -1012 -1201 -1639 -1290 -1610 214 1159 265 -1596 -1359 -2350 -1198 535 -459 -2893 -350 -363 -726 -64 1627 2576 879 -315 -1728 -92 1871 3152 1091 533 1079 2422 1494 -296 1321 1360 2367 1795 936 -717 42 190 -822 -2480 -1346 -865 -836 -554 SS 20231119T125211.3Z 8723.536242 71 1 50.48 2 80.19 126.54 142.47 70.62 0.00 1 0.00 1 0 25 5.001e-01 9.024e-03 1.225e-01 1.752e-03 6.797235e-01 9.530056e-04 7.753468e-03 -6.000000e+00 2.958299e-01 223.21 -2.00 3.51 -2.00 320.87 0.00e+00 3.783011e-03 4.284415e-04 1.589984e-03 -6.000000e+00 1.317078e-02 280.10 -2.00 20.00 -2.00 320.34 0.00e+00 5.608 0.003 302.00 328.00 3 5.8166e-01 3.0531e-03 6.6678e-02 -6.0000e+00 7.2921e-01 5.9701e-02 4.1507e-03 3.8795e-02 -6.0000e+00 7.9433e-01 -4.7582e-02 4.2708e-03 1.8913e-02 -6.0000e+00 4.7293e-01 1.0658e-02 2.0689e-03 7.7896e-03 -6.0000e+00 1.9904e-01 5.6836e-04 -1.1247e-03 5.0733e-05 7.8874e-05 -6.0000e+00 1.5191e-02 -5.8149e-04 0.0000e+00 11 9 0 11 4 0 15.18 11.96 0.26 -0.00058 -0.00903 182 34 1 5 0 277.290 26.21 20.02 11.96 12.32 35.0 978.23 -197468 -130325 900000 -177947 -99062 263995 -156038 900000 -87541 -87877 -147951 -104151 -113851 -162167 900000 -38724 -62417 900000 156516 35758 37452 -27346 19946 -48940 -21546 -11850 109030 -16379 -37723 -38151 -16140 4114 -10057 -12668 -5614 27232 -8321 -9959 5094 4358 -4341 -361 -5302 -4521 1262 8255 -3597 5309 2130 7139 1411 3072 -2674 8586 6288 3651 3591 737 2384 516 1482 4577 2476 -718 3796 -752 4323 657 2166 993 417 770 1325 -1263 931 10 948 2276 527 411 -878 1039 -1207 -997 -1477 -1320 -1775 -1159 -841 -705 285 29 1149 1283 1156 770 385 339 -331 -264 -442 -661 -11 942 -196 -1048 -948 -1037 -514 200 142 -611 -265 -132 185 698 1222 932 452 -308 -941 -943 188 227 -25 185 340 1458 794 -3 522 234 495 390 142 -520 6 -69 -441 -638 -114 -180 158 277 -1943 -829 900000 -2083 -528 451 -1461 900000 -540 -603 -1961 -1020 -1498 -4320 900000 -513 -1209 900000 465 369 400 -555 267 -1334 -497 -268 818 -407 -1147 -1217 -477 121 -399 -576 -248 884 -391 -534 285 295 -368 -33 -539 -477 130 819 -409 576 250 851 193 460 -469 1485 1199 751 772 166 526 114 326 1027 625 -209 1169 -252 1381 218 744 381 179 356 627 -603 414 4 361 824 201 175 -438 579 -764 -679 -1069 -1002 -1421 -961 -709 -592 230 22 839 920 862 632 356 351 -379 -319 -539 -773 -12 959 -201 -1130 -1069 -1219 -636 264 203 -943 -424 -214 293 1068 1815 1390 696 -493 -1553 -1556 301 354 -38 276 493 2066 1160 -5 895 430 950 777 295 -1127 14 -157 -1017 -1477 -259 -395 333 571 SS 20231119T125953.1Z 8723.541587 76 1 50.45 2 79.03 127.95 141.14 72.36 0.00 1 0.00 1 0 25 2.862e-01 7.297e-03 8.502e-02 1.235e-03 6.238555e-01 6.537117e-04 7.220099e-03 -6.000000e+00 1.669582e-01 223.21 -2.00 3.51 -2.00 320.43 0.00e+00 2.427599e-03 2.560386e-04 1.206142e-03 -6.000000e+00 7.431515e-03 280.10 -2.00 20.00 -2.00 319.87 0.00e+00 5.067 0.002 302.00 328.00 3 5.1023e-01 1.9785e-03 6.0052e-02 -6.0000e+00 4.1051e-01 4.8891e-02 2.5477e-03 3.4084e-02 -6.0000e+00 4.4631e-01 -2.9206e-02 2.4763e-03 1.6726e-02 -6.0000e+00 2.6665e-01 2.1492e-03 1.2381e-03 5.9478e-03 -6.0000e+00 1.1290e-01 1.0740e-03 -1.1125e-03 3.5685e-05 6.4776e-05 -6.0000e+00 8.5269e-03 -2.7426e-04 0.0000e+00 11 9 0 11 4 0 11.19 11.90 0.23 -0.00027 -0.00863 260 49 1 5 0 194.010 26.21 20.01 11.90 13.22 35.2 981.99 -144837 -107826 104171 -115511 -53437 -75912 -71879 -8892 -46371 -74253 -90639 -84912 -74563 -91806 21226 -29047 -22075 2164 11764 9187 -5347 -961 -10794 -23046 -14993 -8667 16860 -13014 -14675 -19113 -569 -871 988 -7251 457 9383 -4170 -8749 409 221 -2762 893 -5213 -1262 -2666 4034 -2725 3349 1011 4591 1124 1461 -336 3862 3479 1168 2215 105 2158 -78 1911 2249 1910 119 1305 344 2097 997 1947 2015 -475 116 -464 -787 -440 -64 233 1788 1137 22 -440 -79 -1161 -1403 -1158 -1291 -1265 -852 -869 -601 31 593 860 1720 1254 1124 476 723 -356 -412 -281 -473 -18 1079 -181 -1149 -660 -1104 29 164 56 -531 -38 -14 164 730 944 925 295 -421 -966 -455 -89 -166 -160 -111 311 1397 975 19 489 89 417 100 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