File name: Pandora55s1_QueensNY_20240813_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T143707.3Z 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_20240813_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: 20240813 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 20240813T104823.7Z 8991.450274 61 1 50.54 2 82.81 77.12 162.86 339.30 0.00 1 0.00 1 0 25 6.300e-01 2.875e-02 2.427e-01 5.754e-03 9.758814e-01 3.474514e-03 1.080936e-02 -6.000000e+00 3.907344e-01 231.84 -2.00 3.51 -2.00 322.10 0.00e+00 2.299579e-03 2.203928e-03 4.529824e-03 -6.000000e+00 1.853015e-02 290.27 -2.00 20.00 -2.00 321.60 0.00e+00 7.349 0.007 302.00 328.00 3 3.7765e-01 1.4621e-02 9.7204e-02 -6.0000e+00 9.7912e-01 1.0642e+00 1.9899e-02 7.4026e-02 -6.0000e+00 1.0614e+00 -1.4394e+00 1.6065e-02 2.8255e-02 -6.0000e+00 6.2909e-01 5.8149e-01 7.2144e-03 1.2842e-02 -6.0000e+00 2.6143e-01 8.4067e-05 -2.2672e-03 1.5709e-04 1.3656e-04 -6.0000e+00 1.9597e-02 7.2878e-03 0.0000e+00 12 9 8 11 4 0 30.96 10.81 0.32 0.00729 -0.00975 70 13 1 5 0 721.920 26.11 20.02 10.81 24.21 37.9 1051.65 -103651 -141881 900000 -153497 30785 900000 -121688 900000 76839 -8436 -164492 -120041 -116377 36585 900000 43727 -62188 110671 900000 900000 -32415 50559 900000 -79725 9438 31920 900000 58019 -64493 -89978 -11724 149108 49745 12656 58779 900000 -11005 -1312 217554 900000 57643 130703 14534 48539 64398 900000 15860 179794 136514 141200 42608 61280 1197 242749 133885 81839 117466 75667 92359 38497 48156 107339 39506 4628 54777 -3521 63219 10761 22033 23304 20833 30320 33914 5930 34731 7324 21262 36330 1484 8402 -6074 18344 115 7920 -3633 3089 -5568 -778 -2969 -843 -1027 -5708 3896 -1885 -623 -2827 -6116 -3451 -2886 -2455 -2583 -2008 -1035 2436 -932 -2596 -2964 -3951 -2403 1514 -433 -3789 -1550 -1694 -1551 -748 1885 1517 472 -29 -721 -355 2684 5068 1061 1960 251 3056 943 -719 1196 1660 1616 776 596 -606 394 174 157 -1200 -185 -832 74 -2022 -2305 -5129 900000 -5996 179 900000 -2663 900000 430 -69 -6136 -3166 -3511 317 900000 522 -2295 836 900000 900000 -1003 675 900000 -3660 195 543 900000 715 -2455 -4465 -316 1027 1056 415 1244 900000 -428 -51 1218 900000 1969 2411 834 2043 2316 900000 892 2176 2638 2793 2342 3143 119 2675 4485 4672 4979 4724 4789 3128 3478 4577 3492 641 5309 -620 6079 1722 3407 3996 4081 5838 6416 1403 5827 1425 3309 4784 289 1772 -1743 4943 42 2925 -1589 1344 -2748 -381 -1511 -415 -488 -2692 1619 -832 -294 -1568 -4097 -2629 -2484 -2286 -2448 -1799 -835 1761 -685 -2024 -2448 -3481 -2260 1535 -507 -5093 -2208 -2500 -2284 -1078 2610 2134 694 -44 -1137 -549 3883 6940 1466 2625 334 3934 1301 -1127 2100 3202 3363 1726 1405 -1521 1022 462 420 -3209 -477 -2042 170 -4530 SS 20240813T105935.7Z 8991.458052 64 1 50.45 2 80.74 78.89 163.46 347.43 0.00 1 0.00 1 0 25 7.439e-01 1.253e-02 1.485e-01 2.173e-03 8.311616e-01 1.250559e-03 9.348738e-03 -6.000000e+00 4.553015e-01 231.84 -2.00 3.51 -2.00 321.42 0.00e+00 6.388381e-03 6.917987e-04 5.828464e-04 -6.000000e+00 2.132253e-02 290.27 -2.00 20.00 -2.00 320.82 0.00e+00 5.897 0.004 302.00 328.00 3 3.9475e-01 4.6314e-03 7.4355e-02 -6.0000e+00 1.1414e+00 2.0350e-01 6.7327e-03 4.6788e-02 -6.0000e+00 1.2359e+00 -2.1754e-01 6.7181e-03 2.5170e-02 -6.0000e+00 7.3435e-01 7.8173e-02 3.0855e-03 1.2654e-02 -6.0000e+00 3.0519e-01 4.1436e-04 -1.3421e-03 5.9217e-05 1.4068e-04 -6.0000e+00 2.2741e-02 6.4222e-03 0.0000e+00 12 9 8 11 4 0 13.55 10.81 0.27 0.00642 -0.00366 168 32 1 5 0 300.230 26.21 20.00 10.81 25.07 37.6 1055.77 -305909 -305146 900000 -313574 -132481 -230010 -244328 900000 -129536 -163807 -255316 -178786 -217260 -115092 900000 -40821 -127461 192938 900000 900000 -100530 -13859 -16472 -93333 -38435 -65982 900000 -56559 -57583 -91021 -34565 2999 -14573 -22414 -2953 85113 -21807 -10498 1244 13168 -6246 18833 -7214 3513 1522 31410 34 16251 13626 13760 9086 6241 2057 19702 16277 6250 12330 7367 10675 1492 1562 11879 5528 1052 7000 1007 8371 1568 2849 5268 2953 2563 2412 -923 3407 -269 1024 3433 891 -1218 -1557 2440 -861 -728 -2026 -1188 -2380 -1355 -1586 -497 -411 6 877 879 476 131 -387 -178 -658 -723 -613 -738 344 948 -85 -1584 -1125 -1219 -565 3 -157 -1029 -272 -85 -395 626 1045 1229 568 138 -642 -342 567 746 203 78 246 1479 882 -99 532 273 534 463 127 -571 -46 127 -456 -595 -339 -167 176 89 -3331 -4137 900000 -5408 -385 -1685 -2148 900000 -468 -910 -3752 -1451 -3253 -870 900000 -254 -2182 408 900000 900000 -1948 -120 -151 -1905 -508 -1213 900000 -998 -1047 -2442 -646 49 -341 -640 -73 911 -669 -329 42 478 -314 839 -437 204 93 1505 2 977 893 982 747 595 228 2048 1897 845 1654 1049 1469 218 230 1674 925 209 1471 236 1856 379 726 1478 947 889 859 -333 1110 -83 289 922 261 -414 -627 1096 -448 -412 -1229 -755 -1601 -941 -1127 -347 -278 4 536 535 307 95 -323 -169 -699 -821 -698 -803 342 877 -80 -1556 -1154 -1310 -644 4 -214 -1533 -424 -135 -620 949 1548 1833 877 222 -1056 -556 890 1130 302 113 349 2049 1277 -157 933 517 1068 966 279 -1314 -110 308 -1115 -1453 -807 -380 381 189 SS 20240813T111003.6Z 8991.465320 69 1 50.45 2 78.79 80.53 163.77 355.41 0.00 1 0.00 1 0 25 4.344e-01 7.445e-03 6.065e-02 1.203e-03 7.215892e-01 6.630315e-04 8.184958e-03 -6.000000e+00 2.615022e-01 231.84 -2.00 3.51 -2.00 320.79 0.00e+00 4.014579e-03 2.989092e-04 5.650197e-04 -6.000000e+00 1.191196e-02 290.27 -2.00 20.00 -2.00 320.10 0.00e+00 4.961 0.002 302.00 328.00 3 3.5227e-01 2.1757e-03 6.3100e-02 -6.0000e+00 6.5386e-01 9.3857e-02 2.9161e-03 3.9602e-02 -6.0000e+00 7.0542e-01 -6.0313e-02 2.7790e-03 2.0126e-02 -6.0000e+00 4.2143e-01 1.1241e-02 1.3478e-03 8.8458e-03 -6.0000e+00 1.7750e-01 1.1759e-03 -1.0905e-03 3.3453e-05 8.5797e-05 -6.0000e+00 1.2990e-02 6.5573e-03 0.0000e+00 11 9 0 11 4 0 -6.75 10.88 0.19 0.00656 -0.00164 290 55 1 5 0 173.930 26.11 20.02 10.88 25.81 37.9 1059.82 -209412 -160553 900000 -167050 -123206 -149254 -151875 -32124 -80468 -140155 -136041 -126723 -103753 -85473 32010 -48442 -52368 -59360 18029 3902 -50444 -18784 -29839 -31022 -25861 -13551 9937 -19399 -26778 -33014 -15543 -5353 -2526 -12944 -3305 6069 -6605 -10126 3030 -434 -2248 -2790 -4650 -896 -1322 5981 -2672 3601 2346 5702 1118 4228 -209 5106 4580 1365 2143 231 1686 151 2008 3289 2413 757 2238 988 3404 961 1867 1840 675 401 -197 -891 -120 -94 4 1557 1104 83 -505 214 -1159 -1207 -1281 -1137 -1174 -937 -770 -522 -157 441 893 1363 853 881 446 673 -333 -449 -482 -396 174 892 -187 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