File name: Pandora55s1_QueensNY_20211220_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T105236.5Z 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_20211220_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: 20211220 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 20211220T132125.4Z 8024.556544 306 1 9.83 2 80.80 132.15 88.08 302.77 0.00 1 0.00 1 0 25 5.274e-01 2.404e-02 2.740e-01 9.646e-03 7.911992e-01 5.470831e-03 9.057997e-03 -6.000000e+00 3.141569e-01 222.96 -2.00 3.51 -2.00 321.31 0.00e+00 2.000256e-03 2.672706e-03 3.557677e-03 -6.000000e+00 1.627159e-02 276.93 -2.00 20.00 -2.00 320.83 0.00e+00 5.944 0.004 302.00 328.00 3 1.4595e+00 1.8164e-02 7.4353e-02 -6.0000e+00 7.7468e-01 3.7050e-01 2.5455e-02 4.9231e-02 -6.0000e+00 8.4948e-01 -4.7283e-01 2.6083e-02 2.4143e-02 -6.0000e+00 5.0132e-01 1.9510e-01 1.2307e-02 6.9499e-03 -6.0000e+00 2.1033e-01 1.4486e-04 -2.7342e-03 2.7552e-04 1.0888e-04 -6.0000e+00 1.6319e-02 1.6267e-03 -1.2816e-04 12 9 9 12 1 1 -407.62 22.67 0.29 0.00163 -0.01892 7 8 1 5 0 1205.610 25.58 20.01 22.67 2.08 28.8 927.09 -123075 900000 900000 -210067 900000 900000 -42782 900000 -96350 -197437 -247629 900000 -196205 -167482 900000 1465 -122913 -51594 900000 900000 900000 32878 120112 -83467 -31411 963 900000 47178 -38319 -35490 65210 69236 -34203 -29905 82207 900000 -44204 18073 58170 59931 8557 97108 -6362 14323 61262 68045 4393 53129 55593 53728 28475 3033 -3483 46172 55438 18701 31160 24059 11470 12877 9610 26130 6264 2133 18797 -4102 11980 1222 3622 2769 -1864 3351 10687 762 9884 1692 8899 9786 837 -1750 -3501 4822 -2049 -1663 -5365 -2702 -3918 496 -2116 -1856 -922 -2495 349 -619 -438 -514 -2760 -976 -520 -1702 -883 -1959 914 2862 1264 -2923 -801 -1866 -1724 1252 -394 -2154 69 -621 -488 1295 1041 1307 786 -19 -1175 -1130 2410 837 736 1088 368 2644 1428 703 -158 718 1411 463 1236 -725 66 -342 -214 -1132 132 -1224 -78 -444 -1155 900000 900000 -4567 900000 900000 -402 900000 -904 -4692 -10082 900000 -6813 -5678 900000 15 -4781 -1141 900000 900000 900000 381 1128 -3143 -790 19 900000 599 -1083 -1028 840 1040 -1591 -1468 1435 900000 -2566 666 1766 2133 560 3066 -554 1063 2972 3150 374 2982 3216 3393 2494 374 -507 4648 5504 2738 4244 3527 1853 1992 1525 3754 1200 479 3988 -1118 2827 325 1003 868 -677 1243 3772 286 3191 539 2440 2604 256 -626 -1493 2196 -1109 -969 -3415 -1773 -2720 344 -1523 -1320 -628 -1635 214 -382 -287 -379 -2363 -935 -550 -1925 -991 -2102 881 2560 1148 -2871 -811 -1999 -1969 1523 -536 -3215 107 -972 -752 1914 1506 1902 1186 -30 -1896 -1799 3626 1236 1061 1529 508 3546 2021 1094 -273 1324 2737 943 2623 -1629 151 -805 -506 -2678 302 -2703 -162 -908 SS 20211220T133255.9Z 8024.564536 312 1 48.20 2 79.22 134.29 89.84 304.54 0.00 1 0.00 1 0 25 3.604e-01 7.323e-03 6.522e-02 1.287e-03 7.102670e-01 6.897205e-04 8.201995e-03 -6.000000e+00 2.092057e-01 222.96 -2.00 3.51 -2.00 320.76 0.00e+00 3.478648e-03 2.908750e-04 2.164573e-03 -6.000000e+00 9.347967e-03 276.93 -2.00 20.00 -2.00 320.24 0.00e+00 5.147 0.002 302.00 328.00 3 1.8539e-01 2.1267e-03 6.4082e-02 -6.0000e+00 5.1461e-01 1.0693e-01 2.8538e-03 4.0885e-02 -6.0000e+00 5.6071e-01 -6.9548e-02 2.9739e-03 1.9472e-02 -6.0000e+00 3.3457e-01 1.5729e-02 1.4597e-03 6.8932e-03 -6.0000e+00 1.4120e-01 1.2209e-03 -2.2893e-03 3.5897e-05 7.9966e-05 -6.0000e+00 1.0764e-02 2.1110e-03 -1.1935e-04 11 8 0 10 0 0 -16.39 22.67 0.24 0.00211 -0.01509 264 50 1 5 0 182.560 25.58 19.99 22.67 3.03 29.1 932.64 -155319 -52287 900000 -173870 -75574 -138587 -113455 -67206 -65901 -134710 -133669 -84346 -91208 -96265 -3780 -46544 -60292 -22639 -6119 7829 -24512 -20684 -21460 -25341 -18837 -25412 7319 -15942 -18865 -35109 -4674 -5446 2686 -17448 -2696 6225 -4157 -4499 3321 2152 -3071 -940 -6928 431 -1868 5447 -3229 3817 2879 3849 922 2307 1522 4331 5608 1249 2360 -1096 1517 -393 2280 3353 2192 903 1023 780 1826 1129 1601 2436 276 32 107 -484 260 -581 600 1352 1718 431 30 -523 -907 -1395 -1753 -1303 -1074 -826 -611 -378 -393 516 788 1459 1100 1085 416 693 -243 -605 -387 -388 503 890 134 -1277 -772 -1053 -75 152 -95 -756 -215 -82 -19 860 1019 1193 307 -266 -685 -200 -129 -191 47 -102 578 1451 754 -111 344 -137 451 155 244 -496 -241 72 -538 -413 -151 104 161 269 -1099 -177 900000 -2043 -351 -1075 -725 -337 -372 -1522 -1632 -722 -1051 -1538 -34 -728 -1273 -372 -94 113 -509 -422 -458 -607 -464 -719 154 -426 -523 -1222 -140 -201 109 -883 -132 276 -216 -248 207 164 -287 -95 -800 48 -220 612 -409 469 378 538 135 375 279 850 1173 289 561 -274 365 -94 535 830 617 293 340 270 622 392 592 1008 132 16 56 -249 124 -253 236 512 686 201 17 -317 -623 -984 -1323 -1041 -906 -726 -545 -331 -329 403 581 1123 847 948 400 768 -289 -775 -491 -458 562 923 141 -1444 -869 -1258 -96 204 -143 -1194 -357 -136 -31 1311 1502 1766 478 -437 -1161 -333 -206 -293 73 -154 833 2035 1120 -177 589 -258 865 316 506 -1055 -536 164 -1245 -948 -334 225 326 552 SS 20211220T133859.8Z 8024.568747 315 1 47.76 2 78.40 135.44 90.75 305.48 0.00 1 0.00 1 0 25 2.756e-01 7.002e-03 5.736e-02 1.048e-03 6.680838e-01 5.535256e-04 7.730727e-03 -6.000000e+00 1.600350e-01 222.96 -2.00 3.51 -2.00 320.49 0.00e+00 2.767539e-03 2.162968e-04 1.444978e-03 -6.000000e+00 7.058351e-03 276.93 -2.00 20.00 -2.00 319.97 0.00e+00 4.814 0.002 302.00 328.00 3 1.7455e-01 1.6630e-03 5.9385e-02 -6.0000e+00 3.9365e-01 8.8885e-02 2.1459e-03 3.6477e-02 -6.0000e+00 4.2889e-01 -5.2106e-02 2.1543e-03 1.7913e-02 -6.0000e+00 2.5576e-01 9.4118e-03 1.0785e-03 6.0193e-03 -6.0000e+00 1.0756e-01 1.7691e-03 -2.0901e-03 2.9465e-05 7.0200e-05 -6.0000e+00 8.2210e-03 9.2558e-04 -1.0565e-04 11 8 0 10 0 0 8.08 22.67 0.21 0.00093 -0.01478 315 60 1 5 0 151.600 25.58 20.02 22.67 3.39 29.0 934.19 -151497 2061 15239 -117765 -69622 -94316 -86306 -44478 -21155 -122898 -86460 -84779 -55419 -67583 20962 -36678 -36910 -12948 -5945 16180 -19537 431 -19638 -6679 -17183 -6186 -951 -11309 -16405 -20538 -1029 -3878 1812 -12095 4227 2049 -1271 -4747 4642 -668 -2802 -30 -3805 401 -1886 4207 -3887 3468 168 5746 544 2049 1012 2877 3929 14 2256 -1273 1571 -770 2287 1436 2577 721 1531 878 1093 1484 1662 2229 -431 155 -489 -617 -512 97 443 1110 1556 -365 104 -616 -1020 -1491 -1273 -1289 -985 -800 -635 -436 -345 677 600 1460 1265 1335 328 840 -465 -370 -382 -348 369 719 -105 -1274 -409 -861 89 -3 -38 -579 -243 -5 -12 917 986 1120 288 -249 -857 -241 -169 -135 -24 -134 483 1351 833 -119 266 -162 377 102 92 -440 -186 204 -500 -462 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