File name: Pandora55s1_QueensNY_20250524_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20250525T050315.7Z 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 v1.8.75 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20250524_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: 20250524 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 20250524T104613.0Z 9275.448761 130 1 50.94 2 77.65 73.00 54.93 105.87 0.00 1 0.00 1 0 25 5.278e-01 2.717e-02 1.589e-01 4.660e-03 7.313030e-01 2.634138e-03 8.319891e-03 -6.000000e+00 3.231439e-01 231.63 -2.00 3.51 -2.00 320.93 0.00e+00 5.127984e-03 1.179795e-03 1.297472e-03 -6.000000e+00 1.504473e-02 284.54 -2.00 20.00 -2.00 320.34 0.00e+00 4.541 0.002 302.00 328.00 3 3.1859e+00 8.5430e-03 6.0134e-02 -6.0000e+00 8.1040e-01 3.3163e-01 1.1142e-02 3.9327e-02 -6.0000e+00 8.7896e-01 -3.8752e-01 1.0026e-02 2.1106e-02 -6.0000e+00 5.1971e-01 1.5824e-01 4.8176e-03 8.3760e-03 -6.0000e+00 2.1434e-01 9.4556e-05 -2.1950e-03 1.3321e-04 1.0929e-04 -6.0000e+00 1.6156e-02 1.7357e-02 0.0000e+00 12 9 8 11 40 0 99.94 17.47 0.19 0.01736 0.00086 22 4 1 5 0 2314.920 26.21 20.00 17.47 16.96 37.7 1054.54 -175429 -201480 900000 287467 -5648 900000 -151274 900000 -36975 -56984 -187828 -128733 -170485 -11154 900000 -21817 -99086 -86652 900000 900000 -90535 36037 52289 -98226 16178 -27674 900000 -1904 -40945 -60781 -8787 125174 7326 28986 3685 8173 -15282 -24621 35568 89930 277 38107 -3881 -1753 3591 93497 -5203 56743 36772 44739 8423 12990 -3376 56723 40842 18229 35604 13460 25892 5157 -5239 25353 9702 -5854 16441 -5331 13824 1245 4595 5365 -2632 3262 9798 -2479 11719 -4212 5191 14058 -2283 -5355 -5718 7477 -2449 547 -3458 412 -5970 -1535 -3609 16 -1414 -3692 915 596 -1381 -824 -3129 -1624 -1494 -1145 -729 -1186 -982 2507 1273 -635 -1291 -2742 -290 2368 787 -2553 45 -742 -674 -362 1103 2183 115 -47 -1522 1385 1912 3826 174 576 -902 1719 344 -445 1147 1456 1259 757 486 -598 412 106 -82 -1483 -692 -311 -303 -1022 -3511 -6101 900000 1305 -29 900000 -2869 900000 -289 -575 -6693 -2934 -6871 -132 900000 -433 -4577 -3961 900000 900000 -5015 630 795 -6212 382 -1023 900000 -56 -1712 -3195 -324 1608 325 1158 190 395 -944 -1859 1828 3315 27 2805 -446 -205 405 4706 -663 4222 3428 4113 1174 1922 -642 6731 5996 3447 5953 2774 4700 1105 -1238 4737 2320 -1805 4521 -1853 4023 408 1539 1984 -1159 1461 4241 -1167 4569 -1741 1811 4364 -859 -2331 -2905 3856 -1536 360 -2481 302 -4842 -1245 -3025 13 -1114 -2821 639 413 -1014 -669 -2925 -1690 -1710 -1386 -882 -1369 -1045 2448 1256 -663 -1425 -3193 -351 3028 1111 -3982 72 -1203 -1069 -554 1632 3217 177 -75 -2516 2229 2977 5709 259 833 -1287 2362 494 -695 1941 2633 2399 1504 1008 -1307 924 243 -188 -3432 -1558 -670 -623 -2068 SS 20250524T111158.8Z 9275.466653 139 1 7.97 2 72.94 76.87 50.34 110.98 0.00 1 0.00 1 0 25 1.134e-01 6.836e-03 4.797e-02 2.313e-03 5.658618e-01 1.228241e-03 6.535660e-03 -6.000000e+00 6.817694e-02 231.64 -2.00 3.51 -2.00 319.48 0.00e+00 1.988654e-03 3.500970e-04 5.067355e-04 -6.000000e+00 2.999537e-03 284.54 -2.00 20.00 -2.00 318.77 0.00e+00 3.357 0.001 302.00 328.00 3 1.6179e+00 3.4885e-03 4.5318e-02 -6.0000e+00 1.7071e-01 7.8880e-02 4.1253e-03 3.0299e-02 -6.0000e+00 1.8444e-01 -3.6555e-02 3.3203e-03 1.4665e-02 -6.0000e+00 1.0975e-01 5.2328e-03 1.7286e-03 4.8349e-03 -6.0000e+00 4.5786e-02 1.7573e-03 -7.4244e-04 6.6646e-05 5.1316e-05 -6.0000e+00 3.3894e-03 1.0951e-02 0.0000e+00 12 9 1 12 1 1 99.03 17.33 0.16 0.01095 0.00537 25 31 1 5 0 306.110 26.21 20.00 17.33 17.64 37.5 1058.13 -14645 -60932 37371 -67919 -18165 -27932 -32978 -2636 -23428 -18957 -45852 -15888 -26022 -15695 -4927 -2454 -16026 -3903 17497 1818 -11090 -2483 3050 -9022 -40 -8113 11919 -7575 -529 -5286 1147 5362 2976 -1835 -1593 4920 -2917 338 2605 668 -3062 -1349 -3008 -2735 -621 1778 32 564 1386 655 1105 344 986 1590 1966 159 283 738 588 498 191 1719 1346 357 80 148 1266 413 1261 1155 55 -602 267 -650 161 -199 632 763 968 177 -225 -464 -1974 -825 -1365 -1000 -924 -661 -1266 -158 111 735 832 1589 1322 1274 1012 670 -395 -375 -321 -815 239 823 -225 -927 -626 -740 -267 165 -147 -512 -223 42 59 451 940 1080 609 -490 -813 -553 -158 -178 158 95 471 1321 874 137 245 -199 388 93 274 -256 -107 270 -559 -553 -11 -122 -29 147 -161 -1208 325 -1577 -256 -415 -535 -36 -438 -371 -1217 -349 -736 -495 -172 -99 -826 -198 788 100 -713 -151 181 -634 -3 -650 819 -615 -40 -424 95 492 319 -224 -197 566 -374 48 426 130 -697 -329 -781 -734 -166 474 9 156 390 193 345 117 361 620 807 69 126 331 263 219 85 786 666 194 46 87 719 234 732 726 38 -441 198 -479 113 -132 389 451 582 116 -164 -373 -1733 -757 -1311 -998 -958 -706 -1377 -169 115 733 791 1466 1246 1285 1112 801 -510 -502 -427 -1047 288 953 -265 -1136 -795 -969 -362 235 -222 -811 -362 68 93 684 1389 1594 922 -773 -1312 -891 -251 -276 240 141 679 1860 1257 209 396 -339 679 167 506 -491 -212 540 -1132 -1118 -22 -235 -54 270 SS 20250524T111716.6Z 9275.470331 143 1 50.35 2 71.96 77.66 49.41 112.10 0.00 1 0.00 1 0 25 3.915e-01 1.553e-02 1.232e-01 3.882e-03 5.312088e-01 2.095626e-03 6.118301e-03 -6.000000e+00 2.369225e-01 231.64 -2.00 3.51 -2.00 320.11 0.00e+00 1.887476e-03 7.154136e-04 5.587221e-04 -6.000000e+00 1.048221e-02 284.54 -2.00 20.00 -2.00 319.43 0.00e+00 3.186 0.001 302.00 328.00 3 4.1131e+00 6.2250e-03 4.2913e-02 -6.0000e+00 5.9394e-01 5.9178e-02 7.5986e-03 2.8754e-02 -6.0000e+00 6.4211e-01 -3.5853e-02 6.3408e-03 1.3929e-02 -6.0000e+00 3.8073e-01 1.1529e-02 3.2059e-03 4.6063e-03 -6.0000e+00 1.5865e-01 1.7932e-04 -1.0128e-03 1.1825e-04 5.1580e-05 -6.0000e+00 1.1888e-02 1.2721e-02 0.0000e+00 12 8 8 10 0 0 99.99 17.32 0.46 0.01272 0.00511 89 17 1 5 0 565.630 26.21 19.99 17.32 17.82 37.7 1059.20 -91362 -111663 900000 -115717 -25553 236753 -68412 900000 -43676 580 -103179 -21203 -80234 -4429 160196 -1018 -45274 59703 137365 49704 -37371 8307 24961 -43335 6243 -9590 169701 -8527 -16267 -33467 -1838 14154 -6043 6358 -6896 55696 -6749 -3438 9109 11713 -7710 5136 -7826 -1937 -512 13774 -2245 8199 10532 6341 4195 948 -2755 11296 9821 2738 7316 4758 4953 -363 -3962 8540 1101 -3368 2344 -4428 4415 -359 3255 1265 -2697 1025 2829 -2411 3479 -1193 3092 5301 -315 -1434 -2353 1977 -2456 315 -2783 -457 -3766 -983 -2666 -537 -508 -866 1332 974 1817 413 -275 -166 -71 -987 -283 -658 574 1834 760 -570 -921 -897 -551 1864 38 -1278 97 7 -741 377 1149 1657 230 -435 -1142 -1123 926 1433 127 366 -321 1305 341 66 750 919 414 849 331 -399 -81 348 -738 -739 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