File name: Pandora55s1_QueensNY_20240429_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240511T150634.0Z 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_20240429_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: 20240429 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 20240429T105113.4Z 8885.452238 203 1 50.19 2 80.73 78.55 72.32 199.63 0.00 1 0.00 1 0 17 5.962e-01 3.983e-02 1.747e-01 7.192e-03 7.646503e-01 4.261824e-03 8.585427e-03 -6.000000e+00 3.730143e-01 229.84 -2.00 3.51 -2.00 321.56 0.00e+00 9.412391e-03 2.123160e-03 6.554758e-04 -6.000000e+00 1.820470e-02 281.99 -2.00 20.00 -2.00 321.05 0.00e+00 5.900 0.004 302.00 328.00 3 2.3809e+00 1.4866e-02 7.2388e-02 -6.0000e+00 9.3648e-01 7.6953e-01 1.8623e-02 4.4572e-02 -6.0000e+00 1.0216e+00 -1.1501e+00 1.4476e-02 2.1145e-02 -6.0000e+00 5.9926e-01 4.8198e-01 6.8889e-03 1.1916e-02 -6.0000e+00 2.4897e-01 5.7297e-05 -1.5575e-03 2.1826e-04 1.6259e-04 -6.0000e+00 1.9203e-02 1.1803e-02 0.0000e+00 12 9 8 11 44 0 58.81 22.76 0.54 0.01180 0.00010 25 5 1 5 0 2007.150 26.00 20.01 22.76 26.00 36.9 1100.00 -114824 900000 -109449 900000 900000 98328 900000 900000 12432 -88323 -62446 -103743 -55754 900000 102871 -59480 900000 900000 900000 9198 900000 900000 -76137 156569 10252 900000 13495 -6369 -44241 111557 900000 97462 48382 78909 900000 14197 19704 160838 900000 24540 209160 9459 56060 71568 900000 21651 215964 140332 150696 46784 36698 25701 190507 165497 50178 115243 65985 75959 35402 46495 103673 34824 -1750 53733 -3482 36062 9380 20372 19030 13146 21295 23515 -5934 39899 570 19163 37736 -983 1279 -9433 19827 3417 4538 -9083 885 -11026 -3890 -8702 381 -3516 -5201 -602 -2279 -3061 -1452 -6351 -5115 -1489 -2664 -1890 -3571 1223 4541 2187 -1491 -2685 -3113 -2274 2153 -411 -5143 -1267 -646 -1882 -668 -156 2802 -107 -260 -2476 2199 4174 7301 376 2109 512 2920 585 -775 1782 2957 2112 2214 949 -811 544 163 262 -1501 -1523 -1142 -244 -2372 -7980 900000 -7210 900000 900000 687 900000 900000 189 -3515 -2025 -5764 -2442 900000 1444 -4409 900000 900000 900000 401 900000 900000 -6725 1499 403 900000 483 -266 -2698 1712 900000 2351 2020 2471 900000 769 1088 2639 900000 1896 2974 938 3676 4070 900000 1989 3173 4419 4498 3994 3755 3168 5333 6227 5745 7326 6614 6764 4442 5179 7025 4925 -391 7884 -907 6467 2148 4405 4584 3714 6001 6634 -2141 8808 165 4256 6750 -263 376 -3604 6703 1509 2156 -5180 486 -7119 -2458 -5863 236 -2180 -3112 -327 -1237 -1755 -918 -4821 -4412 -1404 -2742 -1959 -3580 1080 3631 1775 -1310 -2517 -3085 -2396 2386 -518 -7374 -1873 -968 -2807 -960 -217 3843 -156 -397 -3948 3374 6116 10117 537 2895 695 3815 807 -1183 2973 5325 4070 4468 2033 -1852 1277 393 637 -3686 -3649 -2614 -527 -5045 SS 20240429T110139.4Z 8885.459483 208 1 50.50 2 78.79 80.18 72.98 201.86 0.00 1 0.00 1 0 25 5.148e-01 2.175e-02 1.300e-01 3.568e-03 6.782170e-01 2.008254e-03 7.788973e-03 -6.000000e+00 3.143798e-01 229.85 -2.00 3.51 -2.00 320.97 0.00e+00 7.761534e-03 8.941164e-04 1.767116e-03 -6.000000e+00 1.498776e-02 282.00 -2.00 20.00 -2.00 320.41 0.00e+00 4.965 0.002 302.00 328.00 3 2.2893e+00 6.5153e-03 6.1451e-02 -6.0000e+00 7.8370e-01 2.2539e-01 8.4362e-03 3.6463e-02 -6.0000e+00 8.5046e-01 -3.6170e-01 7.7246e-03 2.1144e-02 -6.0000e+00 5.0235e-01 1.5258e-01 3.7276e-03 1.0099e-02 -6.0000e+00 2.1097e-01 1.8003e-04 -5.5570e-04 1.0582e-04 1.3564e-04 -6.0000e+00 1.6021e-02 1.1692e-02 0.0000e+00 12 9 8 11 4 0 95.47 22.77 0.30 0.01169 0.00752 49 9 1 5 0 1030.350 26.11 20.01 22.77 26.58 37.1 1100.00 -198506 900000 -215910 900000 900000 -144542 900000 -90617 -57996 -171173 -79598 -151244 -63940 900000 65844 -90610 -54448 900000 190877 -44467 8408 111087 -88937 29291 -28634 900000 -29098 -17069 -63901 5965 58148 8054 -8984 2296 248518 -15187 -7 21189 52896 -2670 32716 -9448 12936 14394 47133 3536 34060 34853 24226 21307 6014 1695 29000 29013 12927 20595 9624 12808 6348 3725 22014 4935 -2753 8810 693 9313 2637 3780 4459 3707 2395 5962 -5019 7937 -2553 2810 4807 -844 -2782 -3398 4287 -1862 -388 -4790 -538 -5029 -1822 -3774 -1043 -1376 -712 -736 234 -1104 -631 -1876 -1444 -893 -1252 11 -1096 409 1405 -73 -1253 -1080 -1771 -393 1510 -246 -1170 -516 -43 -803 526 697 1696 708 64 -860 -761 1603 2020 783 763 731 1512 1250 -314 823 1183 856 824 245 -114 -282 205 -364 -1065 -633 -565 -135 -557 -6305 900000 -8954 900000 900000 -2736 900000 -1196 -595 -5337 -1147 -5122 -1219 900000 569 -3949 -1886 900000 735 -1657 193 962 -5212 602 -1052 900000 -1090 -569 -3429 189 1350 349 -504 119 1228 -926 0 1205 2641 -253 2456 -1110 1288 1451 3603 413 3098 3267 2651 2580 921 298 4301 4603 2476 3808 1978 2535 1307 789 4145 1201 -804 2532 224 2758 826 1225 1586 1479 1039 2574 -2352 3141 -1024 988 1594 -305 -1141 -1628 2188 -1119 -248 -3366 -384 -3927 -1442 -3102 -836 -1074 -526 -516 159 -789 -495 -1674 -1450 -985 -1474 13 -1240 425 1366 -72 -1303 -1177 -2029 -473 1919 -345 -1777 -815 -68 -1256 790 1020 2470 1070 102 -1406 -1242 2513 3075 1175 1115 1042 2102 1791 -490 1395 2142 1632 1630 508 -247 -634 469 -842 -2479 -1440 -1242 -283 -1143 SS 20240429T110758.9Z 8885.463877 211 1 50.48 2 77.60 81.17 73.42 203.19 0.00 1 0.00 1 0 25 4.451e-01 1.285e-02 1.380e-01 2.598e-03 6.315083e-01 1.426141e-03 7.099296e-03 -6.000000e+00 2.685209e-01 229.85 -2.00 3.51 -2.00 320.62 0.00e+00 4.301130e-03 5.830218e-04 4.345322e-04 -6.000000e+00 1.184368e-02 282.00 -2.00 20.00 -2.00 320.03 0.00e+00 4.526 0.002 302.00 328.00 3 2.2337e+00 4.4473e-03 5.6415e-02 -6.0000e+00 6.7063e-01 5.9050e-02 5.7217e-03 3.4182e-02 -6.0000e+00 7.2623e-01 -9.6738e-02 5.3939e-03 1.7976e-02 -6.0000e+00 4.3022e-01 3.2719e-02 2.6534e-03 7.9884e-03 -6.0000e+00 1.8127e-01 3.1032e-04 -4.8281e-06 7.7063e-05 8.3970e-05 -6.0000e+00 1.3654e-02 1.0714e-02 0.0000e+00 12 9 8 11 4 0 34.42 22.77 0.23 0.01071 0.01068 66 12 1 5 0 764.450 26.11 19.97 22.77 26.89 37.0 1100.00 -175106 900000 -190794 -53807 73821 -122790 900000 -47197 -52004 -141167 -115658 -130893 -107774 900000 -34458 -64712 7162 127199 70121 -44521 16040 6353 -57874 -9240 -13563 252808 -11782 -21936 -48334 2248 1595 -2584 -12126 5273 64537 -7556 -16240 16110 17046 -7802 9744 -5894 995 929 19357 -1891 12175 5993 10283 2933 4108 -2525 13400 10171 4404 6777 3861 5793 346 1984 7977 2537 -2372 3977 -2318 4341 -807 1353 2809 503 1259 977 -2089 2754 -1266 2368 3374 -41 -1373 -2363 772 -1568 -1049 -2023 -797 -2544 -2028 -1413 -281 -950 -66 400 925 271 697 -517 493 -573 -510 -486 -344 549 1569 -6 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