File name: Pandora55s1_QueensNY_20231126_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T125128.7Z 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_20231126_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: 20231126 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 20231126T132111.2Z 8730.556380 305 1 50.21 2 77.39 132.55 109.32 321.92 0.00 1 0.00 1 0 25 2.515e-01 1.035e-02 4.639e-02 2.054e-03 5.586333e-01 1.079244e-03 6.503140e-03 -6.000000e+00 1.476967e-01 223.11 -2.00 3.51 -2.00 320.06 0.00e+00 2.497162e-03 3.703334e-04 7.619774e-04 -6.000000e+00 6.587722e-03 279.34 -2.00 20.00 -2.00 319.48 0.00e+00 4.455 0.002 302.00 328.00 3 2.1614e+00 3.1501e-03 5.2828e-02 -6.0000e+00 3.6356e-01 6.9891e-02 3.8692e-03 2.9727e-02 -6.0000e+00 3.9557e-01 -5.3471e-02 3.4490e-03 1.4690e-02 -6.0000e+00 2.3541e-01 1.5617e-02 1.7646e-03 5.2909e-03 -6.0000e+00 9.9536e-02 3.8805e-04 -1.0356e-03 6.1337e-05 5.7811e-05 -6.0000e+00 7.6090e-03 9.4217e-04 0.0000e+00 12 8 8 10 0 0 99.88 15.45 0.14 0.00094 -0.00684 71 13 1 5 0 706.980 26.32 20.00 15.45 9.87 34.7 966.00 -113787 -105756 900000 -113330 -45078 18387 -48889 900000 -15367 -53730 -76976 -62021 -70182 -96903 73944 -1440 -35342 -507 43070 29682 24464 10339 -14 -32636 -7483 -10587 56860 -5567 -9791 -22249 785 6599 1893 -3033 -90 24206 -6752 -5063 6414 6552 -4735 1703 -4049 -1473 441 9566 -1190 5228 3851 4205 1027 719 -2081 6204 5586 1223 4658 1029 2911 993 2591 3558 1115 -536 2301 -1424 2017 -424 687 1617 -1004 656 257 -1436 1055 -557 801 2114 24 -983 -1043 714 -1550 -1392 -2079 -1501 -1776 -1026 -1605 -213 112 14 783 1408 702 1305 428 168 -117 -276 -396 -298 -372 1076 554 -756 -427 -1111 120 424 190 -780 -75 15 -90 177 752 1298 394 -304 -734 -506 291 429 -17 -376 259 1297 685 -80 445 351 477 256 416 -379 -50 84 -460 -580 -310 -92 57 -4 -2204 -2257 900000 -2871 -585 128 -653 900000 -187 -1013 -1907 -1450 -2068 -4477 883 -41 -1536 -18 1091 900 808 397 -1 -2004 -394 -610 1828 -315 -568 -1473 46 422 146 -268 -8 1684 -641 -531 720 870 -793 296 -785 -289 87 1769 -245 1037 794 902 241 185 -599 1789 1728 409 1573 363 1006 343 886 1258 440 -236 1063 -694 937 -199 330 842 -587 405 163 -915 629 -315 415 1033 12 -546 -658 495 -1200 -1148 -1807 -1363 -1694 -1008 -1616 -211 108 13 679 1183 607 1207 439 190 -144 -356 -513 -370 -434 1187 617 -886 -521 -1415 159 591 283 -1235 -123 25 -142 271 1112 1914 600 -482 -1198 -828 466 672 -26 -565 377 1838 992 -124 735 612 864 478 804 -762 -104 177 -984 -1243 -654 -189 113 -7 SS 20231126T141722.0Z 8730.595393 330 1 50.32 2 70.31 144.05 114.56 334.22 0.00 1 0.00 1 0 17 2.547e-01 1.267e-02 5.092e-02 2.443e-03 3.667516e-01 1.245616e-03 4.419615e-03 -6.000000e+00 1.484854e-01 223.11 -2.00 3.51 -2.00 318.29 0.00e+00 8.205675e-04 2.435293e-04 3.060119e-04 -6.000000e+00 6.592262e-03 279.33 -2.00 20.00 -2.00 317.63 0.00e+00 2.936 0.000 302.00 328.00 3 4.2666e+00 3.3304e-03 3.4576e-02 -6.0000e+00 3.6510e-01 4.2163e-02 3.7945e-03 1.8825e-02 -6.0000e+00 3.9706e-01 -8.6027e-03 2.5258e-03 9.3163e-03 -6.0000e+00 2.3713e-01 1.7846e-03 1.3103e-03 2.8120e-03 -6.0000e+00 1.0031e-01 2.5354e-04 -6.6201e-04 7.4764e-05 3.4050e-05 -6.0000e+00 7.5883e-03 1.4448e-03 0.0000e+00 12 9 8 11 32 0 99.60 15.00 0.33 0.00144 -0.00353 15 3 1 5 0 3353.530 26.32 19.99 15.00 11.34 34.8 973.43 -20353 -27022 270389 -30448 10222 33000 -11510 82771 5471 866 -15625 -14192 -19866 -38980 30823 1813 -15397 -1256 2864 -513 20543 5444 5752 -12398 -164 -3041 25200 -1756 -2298 -2694 307 8040 30 444 -1941 16613 -2833 -4076 4017 4434 -2764 2492 -3838 -1718 -1322 2847 -3499 137 2216 2867 108 -771 -2359 5637 4192 774 3175 1244 2478 197 1537 273 518 -2113 1282 -2292 2158 -1071 1409 156 -1463 11 825 -1473 1528 -984 646 948 438 -300 -1245 1005 -1044 -1069 -2254 -683 -1965 -620 -1266 -161 -444 -444 822 1450 788 929 -182 347 -214 -428 -501 -575 263 1438 800 -627 -221 -713 -186 1149 497 -774 -55 -380 -469 39 432 1306 733 -152 -1261 -303 767 -176 257 -82 106 1273 286 359 1054 886 331 637 390 -284 -412 -66 -73 -1045 -158 -474 -162 -43 -1103 -1768 1140 -2161 465 1151 -621 2030 310 55 -1197 -1117 -1828 -4952 2400 210 -2274 -173 400 -77 2624 810 864 -2284 -29 -577 3782 -330 -418 -484 56 1488 7 103 -460 3269 -678 -1092 1168 1490 -1101 1017 -1715 -774 -598 1257 -1622 61 975 1270 51 -384 -1266 2991 2355 458 1891 758 1492 119 926 172 346 -1535 948 -1737 1524 -750 979 117 -1201 10 721 -1299 1275 -792 479 663 306 -222 -1018 879 -994 -1068 -2360 -740 -2239 -724 -1511 -190 -512 -490 852 1436 784 966 -205 419 -277 -576 -672 -743 320 1685 954 -787 -288 -959 -258 1643 748 -1217 -87 -598 -714 57 607 1815 1049 -227 -1954 -473 1180 -267 381 -119 149 1732 395 514 1586 1385 533 1041 655 -494 -741 -121 -134 -1947 -290 -852 -283 -74 SS 20231126T142314.0Z 8730.599468 334 1 11.90 2 69.67 145.34 114.99 335.58 0.00 1 0.00 1 0 25 3.246e-01 5.632e-02 4.461e-02 6.100e-03 3.421132e-01 3.103129e-03 4.340811e-03 -6.000000e+00 1.892632e-01 223.11 -2.00 3.51 -2.00 318.04 0.00e+00 1.835094e-02 5.600990e-04 1.131265e-03 -6.000000e+00 8.401882e-03 279.33 -2.00 20.00 -2.00 317.41 0.00e+00 2.849 0.000 302.00 328.00 3 4.3092e+00 8.2153e-03 3.5662e-02 -6.0000e+00 4.6536e-01 1.7441e-01 9.2499e-03 3.1671e-02 -6.0000e+00 5.0608e-01 -2.4763e-01 5.7421e-03 1.1606e-02 -6.0000e+00 3.0224e-01 1.3981e-01 2.9645e-03 1.5602e-02 -6.0000e+00 1.2788e-01 2.5385e-04 -1.2200e-03 1.8347e-04 1.4152e-04 -6.0000e+00 9.6709e-03 5.8257e-04 0.0000e+00 12 9 9 12 1 1 999.00 15.01 0.50 0.00058 -0.00858 2 2 1 5 0 3964.460 26.32 20.00 15.01 11.64 35.0 975.47 75285 69494 211906 55770 96257 103030 61544 105056 52839 32193 23994 22028 25835 -6813 75151 40066 40363 -97728 73417 69264 60347 51753 46198 16792 18459 7529 34293 3329 5253 14209 25041 22579 27352 21192 23860 36090 16421 9236 12746 5047 -1752 1113 -2942 -752 922 11540 6184 14998 14384 13407 8470 9843 3286 11125 6873 1585 1534 -3519 -2315 -5375 -2629 3665 2100 48 5208 306 3288 923 949 -228 -3870 -585 -2717 -4370 -2953 -2652 -3456 261 -3232 -2103 -1957 449 -2520 -3345 -3168 -2929 -3656 -2823 -2427 -1510 -1415 -1909 -1693 -512 -1022 -1139 -2216 -318 476 213 1369 978 1149 1896 836 -56 -493 -583 700 873 1291 -4 971 754 -338 -87 1373 1552 2084 1160 -146 -8949 2555 2987 1023 1189 1594 2954 2325 1386 1968 2236 1434 1561 854 -144 412 -387 -973 -1235 -1499 -1514 -1511 -2054 4023 4568 3886 4373 4752 4275 3509 3898 3231 2364 1858 1768 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