File name: Pandora55s1_QueensNY_20240203_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240204T051414.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 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_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240203_L1_smca1c17d20220526p1-8.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: 20240203 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: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20240203T125642.1Z 8799.539376 249 1 50.43 2 81.80 120.29 66.79 206.82 0.00 1 0.00 1 0 25 7.454e-01 2.365e-02 2.174e-01 3.775e-03 1.105964e+00 2.273806e-03 1.189385e-02 -6.000000e+00 4.493857e-01 224.45 -2.00 3.51 -2.00 322.10 0.00e+00 5.733273e-03 1.299023e-03 8.457214e-03 -6.000000e+00 2.194766e-02 275.28 -2.00 20.00 -2.00 321.71 0.00e+00 6.582 0.005 302.00 328.00 3 2.7991e-01 8.4840e-03 1.0364e-01 -6.0000e+00 1.1131e+00 9.2609e-01 1.3316e-02 9.6797e-02 -6.0000e+00 1.2198e+00 -1.2365e+00 1.4377e-02 4.1271e-02 -6.0000e+00 7.1722e-01 5.0269e-01 6.4314e-03 1.2990e-02 -6.0000e+00 3.0067e-01 1.7215e-04 -1.2114e-03 9.7282e-05 1.8112e-04 -6.0000e+00 2.3615e-02 1.6907e-02 0.0000e+00 12 9 8 11 4 0 33.70 22.61 0.32 0.01691 0.00780 109 21 1 5 0 462.530 25.90 20.00 22.61 5.86 34.6 994.96 -259359 900000 -253641 900000 900000 -223153 900000 -170349 96087 -274046 -82632 -234405 -160544 900000 102504 -100595 -65124 900000 900000 900000 151 900000 -142862 214637 -83072 900000 -12627 -77521 -92209 -12682 900000 -28476 69996 42527 900000 -29872 28393 63377 900000 24327 152839 29759 29760 77354 208194 43785 90550 155265 83961 57342 38597 27877 111320 95553 66459 57168 66847 51203 42659 30116 73126 24267 -8801 38828 7610 39942 7820 25344 17337 19688 18667 27429 6809 28193 8862 16686 23654 5640 2645 -4373 13454 1448 5185 -1929 2571 -3907 1020 -2647 -209 824 -967 1804 978 875 -3436 -2850 -3677 -1503 -2921 -1515 -2267 -623 1555 -775 -1738 -3363 -2173 -2035 -121 -1748 -2961 -1561 -1016 -787 -118 943 1189 487 -732 -427 641 2139 2519 1069 1063 1218 2600 1076 145 628 1313 1201 867 551 -430 180 306 -305 -808 -219 -645 -263 -1463 -6019 900000 -5813 900000 900000 -3061 900000 -1541 353 -7402 -396 -6214 -2816 900000 376 -1928 -994 900000 900000 900000 1 900000 -4912 788 -1756 900000 -132 -1497 -2196 -170 900000 -692 739 597 900000 -804 483 903 900000 682 1367 912 941 1558 1190 1251 1744 1733 2053 2013 1826 1644 3292 3565 3429 3322 3544 3043 2609 2010 3385 1980 -1129 3646 1034 4155 1147 3431 2846 3534 3642 4999 1435 4477 1504 2410 3147 970 554 -1181 3661 504 1916 -808 1086 -1824 471 -1279 -97 365 -414 730 408 402 -1916 -1875 -2849 -1305 -2794 -1453 -2075 -507 1131 -561 -1311 -2705 -1829 -1857 -122 -2045 -3933 -2230 -1504 -1171 -172 1344 1708 725 -1140 -669 969 3025 3405 1423 1388 1557 3273 1460 224 1101 2545 2519 1937 1306 -1077 464 801 -802 -2110 -549 -1531 -581 -3132 SS 20240203T131401.3Z 8799.551404 254 1 18.45 2 79.01 123.41 68.37 210.73 0.00 1 0.00 1 0 25 6.882e-01 1.261e-02 1.851e-01 2.756e-03 8.831618e-01 1.532813e-03 9.683416e-03 -6.000000e+00 4.098162e-01 224.46 -2.00 3.51 -2.00 321.22 0.00e+00 6.476525e-03 7.294738e-04 1.564628e-03 -6.000000e+00 1.825806e-02 275.28 -2.00 20.00 -2.00 320.77 0.00e+00 5.061 0.002 302.00 328.00 3 6.4210e-01 4.9710e-03 6.9651e-02 -6.0000e+00 1.0136e+00 2.3077e-01 7.2647e-03 5.0679e-02 -6.0000e+00 1.1053e+00 -2.5688e-01 8.1232e-03 2.6590e-02 -6.0000e+00 6.5287e-01 9.8616e-02 3.8457e-03 1.2808e-02 -6.0000e+00 2.7485e-01 6.7469e-04 -4.7650e-04 7.2188e-05 1.2843e-04 -6.0000e+00 2.1018e-02 1.7795e-02 0.0000e+00 12 9 9 12 5 1 98.80 22.62 0.26 0.01779 0.01421 62 33 1 5 0 292.760 25.90 20.00 22.62 6.41 34.5 998.61 -257300 900000 -306771 -222537 900000 -279166 900000 -245954 -10810 -251643 -157092 -224565 -163592 52060 -92340 -98252 -124350 900000 -66723 128393 -74284 22508 -104442 16679 -70828 74972 -24849 -72805 -68494 -54681 13198 -47998 3536 -15722 87399 -18290 -4335 -3954 10056 -4248 7379 2807 -3524 16166 11357 5800 -1321 16795 11181 9918 7165 1989 15749 10225 10802 4074 6815 4181 6549 2960 8558 6566 -1712 5435 1892 7491 2851 5580 3004 3357 2080 2364 -749 2966 762 934 1528 495 1664 -2195 626 -2025 85 -2359 -699 -1856 -906 -1712 -1061 -410 -216 767 226 554 -822 443 103 -342 -568 -261 -310 -227 1569 -1218 -1048 -1550 -846 -603 322 -642 -1125 -69 -59 -113 303 1149 531 688 -473 -705 128 536 643 77 125 741 1975 783 197 358 369 757 160 19 -398 -46 97 -322 -735 -163 -279 37 -11 -2367 900000 -5308 -1648 900000 -3529 900000 -2863 -29 -3638 -1094 -3761 -2117 140 -1030 -1416 -2623 900000 -988 345 -1258 153 -2541 140 -1482 403 -355 -1665 -1639 -1375 215 -1725 90 -488 1020 -600 -141 -155 417 -231 400 172 -236 945 719 394 -102 1170 904 910 751 249 1910 1427 1552 653 1078 668 1020 463 1342 1190 -381 1276 491 1876 770 1545 967 1191 809 917 -297 1049 255 284 461 158 600 -971 312 -1160 52 -1560 -471 -1335 -673 -1276 -791 -291 -147 494 146 385 -640 395 104 -382 -678 -313 -353 -240 1515 -1193 -1052 -1654 -933 -705 404 -895 -1712 -109 -94 -182 469 1740 813 1075 -768 -1167 209 842 975 113 181 1050 2724 1136 316 630 695 1516 335 40 -901 -107 231 -765 -1756 -377 -619 78 -23 SS 20240203T131941.8Z 8799.555345 257 1 50.44 2 78.12 124.45 68.93 211.98 0.00 1 0.00 1 0 25 5.859e-01 8.049e-03 6.908e-02 1.038e-03 8.331554e-01 5.635246e-04 9.171908e-03 -6.000000e+00 3.434504e-01 224.46 -2.00 3.51 -2.00 320.98 0.00e+00 4.576895e-03 2.519930e-04 1.715072e-03 -6.000000e+00 1.495962e-02 275.28 -2.00 20.00 -2.00 320.52 0.00e+00 4.710 0.002 302.00 328.00 3 1.3427e-01 1.7631e-03 6.4972e-02 -6.0000e+00 8.4820e-01 1.3863e-01 2.5045e-03 4.7088e-02 -6.0000e+00 9.2273e-01 -1.1738e-01 2.7896e-03 2.4278e-02 -6.0000e+00 5.4872e-01 3.5840e-02 1.3450e-03 1.0958e-02 -6.0000e+00 2.3199e-01 1.6612e-03 -1.4172e-04 2.7324e-05 1.0353e-04 -6.0000e+00 1.7579e-02 1.6848e-02 0.0000e+00 11 9 0 11 4 0 58.70 22.63 0.20 0.01685 0.01578 383 72 1 5 0 131.670 25.90 20.00 22.63 6.49 34.7 999.33 -246740 -57300 -237222 -167922 -214600 -193727 -181695 -172516 -195384 -197458 -162857 -138602 -126816 -25296 -60296 -84184 -52787 -17475 -6440 -30220 -33577 -40022 -55759 -38764 -43873 -4546 -40264 -43730 -49649 -25467 -20749 -8822 -16732 -9927 5556 -8808 -11739 -1845 1556 -5466 1536 -6134 101 -476 8237 -627 4084 3785 6002 2460 3181 2719 6663 6357 2667 3171 474 2423 -425 1927 3679 2661 12 2471 1733 2564 1631 1452 2665 745 1039 487 -201 468 -84 503 828 715 -455 -101 -176 -1019 -1265 -1285 -1207 -1142 -729 -568 -249 25 514 675 1359 904 564 387 413 -436 -422 -281 -474 418 972 -320 -1382 -652 -1064 -302 -233 -325 -597 -216 -188 71 784 765 871 347 -304 -710 -197 7 -100 142 -63 477 1551 957 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