File name: Pandora55s1_QueensNY_20220113_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T111138.5Z 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_20220113_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: 20220113 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 20220113T131533.8Z 8048.552474 195 1 49.59 2 81.68 127.81 118.37 354.87 0.00 1 0.00 1 0 25 8.392e-01 3.513e-02 2.435e-01 6.423e-03 1.004662e+00 3.889773e-03 1.187988e-02 -6.000000e+00 5.118026e-01 223.70 -2.00 3.51 -2.00 322.07 0.00e+00 1.838944e-03 2.039875e-03 1.031196e-02 -6.000000e+00 2.645133e-02 275.47 -2.00 20.00 -2.00 321.64 0.00e+00 6.498 0.005 302.00 328.00 3 1.3171e+00 1.3853e-02 9.9856e-02 -6.0000e+00 1.2662e+00 1.3009e+00 1.8093e-02 8.8611e-02 -6.0000e+00 1.3885e+00 -1.8286e+00 1.5210e-02 3.8853e-02 -6.0000e+00 8.1566e-01 7.4620e-01 7.2788e-03 8.8847e-03 -6.0000e+00 3.4402e-01 7.0385e-05 -4.8415e-03 1.7794e-04 2.4108e-04 -6.0000e+00 2.7204e-02 6.0065e-03 -2.1163e-04 12 8 8 10 0 0 28.76 22.70 0.53 0.00601 -0.03037 42 8 1 5 0 1180.560 25.58 20.02 22.70 9.33 29.7 1019.11 72500 900000 900000 -87092 900000 900000 110160 900000 900000 55136 -121272 900000 -76846 -101694 900000 323281 -13552 900000 -7735 900000 900000 137963 900000 -565 54263 66772 900000 106069 66350 -44081 361046 900000 141399 29891 127266 900000 57839 58833 900000 900000 58502 329885 28294 126250 86552 900000 68065 900000 241421 209436 96832 53758 73104 229390 900000 103777 180323 100766 149952 76292 51485 143540 41905 25026 73531 20614 53847 23179 40978 34010 15577 19013 48613 12240 52335 14291 38025 -13836 4208 14032 -1441 21731 7969 5834 -6257 5469 -5290 2178 -4716 1857 -3132 -3873 1764 -1048 -5019 -2390 -9185 -4404 -2524 -8350 -2562 -4423 1142 1347 472 -2899 -3727 -3483 -272 2231 -2622 -4728 -925 -1096 -1452 284 1142 3041 -465 -849 -1074 676 2891 5021 2567 2178 2519 1820 1013 -943 1340 1071 2196 1905 180 -459 631 969 -442 -769 -1176 -677 -758 -2349 1127 900000 900000 -5939 900000 900000 763 900000 900000 660 -7892 900000 -4083 -8319 900000 2017 -726 900000 -415 900000 900000 1554 900000 -23 1340 1461 900000 1403 1216 -2368 2253 900000 1979 1304 2118 900000 1718 1872 900000 900000 2731 2058 1902 3312 3222 900000 2927 900000 2054 2602 3877 3583 4452 3350 900000 5574 4745 5568 4947 4762 3890 4642 3913 3104 6415 3101 6014 3528 5667 5619 3372 4225 8260 2770 7450 2588 5006 -2892 806 2846 -403 5740 2718 2212 -2807 2314 -2567 1022 -2374 866 -1463 -1730 722 -449 -2435 -1306 -6278 -3364 -2152 -8079 -2376 -3942 875 948 331 -2181 -2979 -2947 -243 2187 -3050 -6263 -1284 -1575 -2094 397 1556 4131 -674 -1278 -1645 997 4006 6567 3338 2785 3144 2274 1352 -1442 2290 2030 4437 4096 415 -1117 1580 2457 -1135 -1961 -2899 -1569 -1644 -4962 SS 20220113T133254.3Z 8048.564517 200 1 50.13 2 79.14 130.99 118.49 359.28 0.00 1 0.00 1 0 25 7.940e-01 2.020e-02 1.970e-01 2.873e-03 8.301229e-01 1.604458e-03 9.286576e-03 -6.000000e+00 4.707211e-01 223.70 -2.00 3.51 -2.00 321.30 0.00e+00 8.769696e-03 7.752480e-04 2.501132e-03 -6.000000e+00 2.195694e-02 275.47 -2.00 20.00 -2.00 320.84 0.00e+00 5.116 0.002 302.00 328.00 3 1.5992e+00 5.2554e-03 6.9367e-02 -6.0000e+00 1.1608e+00 2.8431e-01 7.5271e-03 5.1361e-02 -6.0000e+00 1.2683e+00 -3.7814e-01 8.0736e-03 2.4018e-02 -6.0000e+00 7.5072e-01 1.5480e-01 3.8111e-03 1.1399e-02 -6.0000e+00 3.1465e-01 2.6068e-04 -2.8745e-03 7.8039e-05 1.1404e-04 -6.0000e+00 2.4287e-02 3.6027e-03 -1.0919e-04 12 8 8 10 0 0 91.33 22.70 0.29 0.00360 -0.01800 73 14 1 5 0 686.620 25.58 20.02 22.70 9.62 29.6 1019.70 -252098 900000 900000 -242050 -69499 900000 -208277 900000 -111757 -173578 -264769 -114693 -183098 -246627 900000 -64842 -72233 -143461 900000 338462 367819 10483 76122 -59025 -41684 10310 900000 15319 -58291 -45536 657 91579 22484 -19704 31050 319662 -1261 -14970 68777 34192 8701 8902 4773 7656 13315 66594 3672 35987 21733 44863 15028 17835 3513 34582 27243 15328 19826 11070 20117 5475 10226 18067 13367 1904 12799 -324 12203 1271 6318 5413 140 2016 4816 632 3982 1515 3254 10173 -1472 1599 -2352 2573 -852 -1074 -3251 -2476 -2683 -2059 -2633 -700 -772 -868 -144 365 -734 723 -2312 -304 -1064 -1896 -1056 -776 540 1626 -453 -2105 -1571 -1761 -289 552 -97 -1483 73 -540 -101 653 1230 1632 74 -34 -1094 405 766 1843 82 876 530 1846 748 194 612 429 1151 647 411 -523 164 -118 -549 -861 -439 -393 45 -460 -3689 900000 900000 -4371 -226 900000 -2527 900000 -631 -1905 -7371 -886 -3480 -11363 900000 -891 -1263 -5532 900000 947 1029 114 445 -1315 -839 133 900000 193 -1502 -1131 13 926 526 -759 763 895 -43 -649 1630 1319 485 542 322 528 894 2816 288 2210 1621 2923 1423 1841 462 3725 3370 2218 2852 1727 2842 865 1551 2707 2354 425 2866 -86 2909 342 1742 1682 51 766 1812 239 1364 485 948 2737 -472 574 -1027 1240 -473 -644 -2100 -1664 -1892 -1498 -1950 -504 -538 -575 -91 230 -497 547 -2050 -302 -1172 -2230 -1234 -856 541 1520 -429 -2109 -1641 -1927 -334 689 -134 -2249 115 -864 -158 995 1828 2437 116 -55 -1799 650 1185 2744 121 1252 742 2532 1084 309 1072 810 2281 1342 893 -1191 383 -280 -1314 -2053 -1016 -870 95 -950 SS 20220113T133929.3Z 8048.569089 203 1 49.32 2 78.21 132.23 118.47 0.95 0.00 1 0.00 1 0 25 5.320e-01 1.035e-02 1.102e-01 1.722e-03 7.859962e-01 9.411536e-04 8.978943e-03 -6.000000e+00 3.119767e-01 223.70 -2.00 3.51 -2.00 320.99 0.00e+00 5.478827e-03 4.229086e-04 3.163339e-03 -6.000000e+00 1.387754e-02 275.47 -2.00 20.00 -2.00 320.51 0.00e+00 4.742 0.002 302.00 328.00 3 1.0884e+00 2.9645e-03 6.5131e-02 -6.0000e+00 7.7003e-01 9.8232e-02 4.1769e-03 4.8606e-02 -6.0000e+00 8.3956e-01 -8.9732e-02 4.5911e-03 2.2190e-02 -6.0000e+00 4.9851e-01 2.5157e-02 2.2116e-03 8.9217e-03 -6.0000e+00 2.1032e-01 6.6470e-04 -2.2892e-03 4.6808e-05 9.1329e-05 -6.0000e+00 1.6190e-02 3.0342e-03 -6.7636e-05 12 8 8 10 0 0 97.38 22.70 0.26 0.00303 -0.01417 147 28 1 5 0 335.450 25.58 19.99 22.70 9.44 29.7 1019.02 -248957 900000 900000 -241541 -131408 -86170 -185942 900000 -89597 -153743 -211042 -118485 -109003 -202686 900000 -68755 -61750 -79299 117481 53698 8206 1080 -27728 -56381 -53552 -15058 88214 -6071 -40642 -47146 -10515 6725 -5561 -27666 9842 24747 -1909 -16104 12953 4843 -1098 1526 -5800 189 -2339 17261 -4173 13494 5304 14622 3890 6803 -849 8534 8445 3281 4039 942 5135 -368 2241 4490 4142 -897 4419 2 3907 1235 3138 2517 -847 151 531 -1536 199 634 1263 2456 262 -162 -691 418 -1373 -1514 -1611 -1500 -1487 -1036 -770 -429 -69 -5 915 1640 585 938 -103 654 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