File name: Pandora55s1_QueensNY_20240121_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240122T051224.4Z 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_20240121_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: 20240121 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 20240121T130748.2Z 8786.547085 204 1 50.37 2 82.12 125.00 113.52 353.22 0.00 1 0.00 1 0 25 6.693e-01 2.339e-02 2.506e-01 3.585e-03 1.092091e+00 2.110601e-03 1.165533e-02 -6.000000e+00 4.007492e-01 223.98 -2.00 3.51 -2.00 322.10 0.00e+00 1.217604e-02 1.203851e-03 9.327136e-03 -6.000000e+00 1.832279e-02 275.31 -2.00 20.00 -2.00 321.70 0.00e+00 6.809 0.006 302.00 328.00 3 -9.5441e-02 7.7880e-03 1.1080e-01 -6.0000e+00 9.9353e-01 9.9701e-01 1.1755e-02 1.0914e-01 -6.0000e+00 1.0882e+00 -1.2937e+00 1.2564e-02 3.7337e-02 -6.0000e+00 6.4179e-01 5.2536e-01 5.6818e-03 1.8284e-02 -6.0000e+00 2.6747e-01 1.9887e-04 -1.1704e-03 9.0806e-05 1.7496e-04 -6.0000e+00 2.0662e-02 1.8746e-02 0.0000e+00 12 9 8 11 4 0 55.64 22.60 0.35 0.01875 0.00995 132 25 1 5 0 381.500 25.90 20.00 22.60 -1.00 33.7 1023.82 -211655 900000 -251269 -24250 -45137 -146462 900000 -137127 -62593 -264924 -133458 -181141 -120813 900000 53554 -70371 -168142 900000 900000 900000 -51342 107659 -123168 37355 -36851 900000 -23139 -4615 -83149 11001 123732 -560 23681 12421 900000 -29944 31132 97577 268179 19912 121055 16983 28466 46506 135025 34619 62365 85281 81678 54775 41928 21487 108921 92864 53621 65252 57678 49368 39140 26989 67282 19856 -2280 38393 9531 36748 13761 18070 16845 21309 19650 23217 5061 22216 9626 17683 19158 3206 3130 -315 10928 2610 4303 -649 2653 -3590 371 -2207 301 -174 -228 995 -116 -1352 -3701 -2911 -2928 -2255 -1864 -1760 -1395 -273 1352 -737 -2208 -3156 -2346 -2167 -76 -1961 -3045 -1794 -1460 -1479 -120 1026 765 106 -110 148 325 2471 2790 1262 999 1561 2331 1250 28 1095 1394 1052 790 436 -253 235 249 -348 -725 -217 -274 -625 -1736 -4114 900000 -7464 -85 -158 -1205 900000 -1051 -232 -7277 -1162 -3230 -1665 900000 230 -1206 -8217 900000 900000 900000 -857 376 -3951 260 -530 900000 -280 -47 -1983 130 628 -12 438 260 900000 -892 563 1074 936 609 1523 609 949 1319 1667 1156 1690 2016 2195 2123 2067 1432 3491 3733 3229 3622 3404 3039 2519 1905 3417 1764 -288 3803 1332 4112 1986 2722 2878 3902 3901 4496 1107 3796 1659 2578 2726 580 672 -85 3129 924 1643 -275 1147 -1710 176 -1082 143 -79 -99 413 -50 -646 -2106 -1954 -2310 -2019 -1811 -1728 -1291 -225 1004 -543 -1705 -2582 -2016 -2020 -78 -2346 -4140 -2610 -2202 -2242 -178 1484 1123 162 -174 234 500 3557 3843 1715 1329 2026 3001 1729 44 1961 2757 2253 1797 1052 -646 618 664 -931 -1926 -554 -661 -1412 -3804 SS 20240121T131902.2Z 8786.554887 207 1 50.42 2 80.39 127.03 113.70 355.85 0.00 1 0.00 1 0 25 8.271e-01 1.064e-02 1.594e-01 1.740e-03 9.489607e-01 9.806786e-04 1.020967e-02 -6.000000e+00 4.898704e-01 223.98 -2.00 3.51 -2.00 321.52 0.00e+00 6.861117e-03 5.042841e-04 2.498212e-03 -6.000000e+00 2.150021e-02 275.31 -2.00 20.00 -2.00 321.09 0.00e+00 5.717 0.003 302.00 328.00 3 -2.9997e-02 3.3477e-03 7.8474e-02 -6.0000e+00 1.2116e+00 2.6078e-01 5.3332e-03 5.9295e-02 -6.0000e+00 1.3213e+00 -2.6961e-01 6.2029e-03 2.9998e-02 -6.0000e+00 7.8296e-01 1.0073e-01 2.8515e-03 1.4849e-02 -6.0000e+00 3.3008e-01 6.7113e-04 -1.8842e-04 4.5158e-05 1.4993e-04 -6.0000e+00 2.5330e-02 1.8734e-02 0.0000e+00 12 9 8 11 4 0 26.47 22.58 0.28 0.01873 0.01732 253 48 1 5 0 199.250 25.90 19.99 22.58 -0.34 33.8 1023.85 -212586 900000 -318278 -299813 88627 -323219 900000 -234093 -226827 -294100 -250586 -236528 -236446 900000 -127891 -106891 -147006 900000 -57206 8906 -77267 -62882 -113942 -85741 -63471 260987 -28325 -109454 -78100 -74658 10268 -31641 -17494 -8293 33442 -14431 -30215 24941 1769 1367 -3611 -4672 -8781 1850 23103 -3278 14689 10705 20896 1445 12226 -1956 21793 13704 10447 7635 5612 7603 1121 2889 6359 6362 -5651 9101 223 7802 915 3900 3991 3154 3512 1662 393 1966 1406 333 4539 -203 763 -1215 1536 -670 -740 -1416 -1310 -1306 -1537 -70 -901 187 337 946 1070 425 -59 -275 542 -930 -474 -733 -192 127 1356 -410 -1230 -1023 -1115 -274 -71 -75 -1259 -97 -461 -132 489 1002 897 355 -97 -634 70 141 481 8 128 221 1556 715 -129 376 245 603 135 277 -564 34 92 -325 -583 -68 -171 172 -38 -590 900000 -3043 -2311 150 -3190 900000 -1191 -1189 -3356 -2202 -2407 -3390 900000 -1124 -939 -2267 900000 -441 41 -774 -562 -1827 -1137 -724 443 -240 -2160 -1252 -1427 109 -639 -353 -160 423 -307 -862 500 55 50 -155 -220 -456 90 937 -182 729 604 1182 103 902 -190 1867 1393 1171 919 700 914 140 352 796 909 -984 1691 45 1503 197 887 1034 936 1124 554 128 581 375 82 1054 -54 238 -470 640 -329 -402 -827 -810 -850 -1044 -48 -608 120 203 543 619 270 -41 -229 496 -992 -548 -856 -208 122 1244 -376 -1192 -981 -1138 -302 -88 -101 -1842 -152 -747 -210 752 1494 1350 558 -159 -1063 114 216 736 11 184 307 2113 1045 -208 661 486 1237 285 626 -1313 83 227 -812 -1439 -160 -389 379 -80 SS 20240121T132805.1Z 8786.561170 212 1 50.43 2 79.04 128.69 113.77 357.97 0.00 1 0.00 1 0 25 5.899e-01 7.841e-03 1.053e-01 1.150e-03 8.459672e-01 6.282241e-04 9.266053e-03 -6.000000e+00 3.450910e-01 223.98 -2.00 3.51 -2.00 321.10 0.00e+00 5.435844e-03 2.909171e-04 1.199751e-03 -6.000000e+00 1.526417e-02 275.31 -2.00 20.00 -2.00 320.64 0.00e+00 5.072 0.002 302.00 328.00 3 -4.2584e-02 2.0117e-03 6.7779e-02 -6.0000e+00 8.5132e-01 1.5499e-01 2.9219e-03 4.7337e-02 -6.0000e+00 9.2654e-01 -1.2078e-01 3.2920e-03 2.5735e-02 -6.0000e+00 5.5159e-01 3.5749e-02 1.5710e-03 1.2427e-02 -6.0000e+00 2.3457e-01 1.3948e-03 6.1522e-05 3.0232e-05 1.2246e-04 -6.0000e+00 1.7702e-02 1.9341e-02 0.0000e+00 11 9 0 11 4 0 47.68 22.58 0.24 0.01934 0.01980 369 70 1 5 0 136.640 25.90 20.01 22.58 0.07 33.9 1023.67 -249805 900000 -247265 -174849 -158337 -235175 16474 -190144 -169375 -228507 -157889 -173082 -128483 -58299 -56899 -99734 -78754 -9036 -12334 -10929 -40275 -31576 -78844 -28481 -50734 31129 -46327 -38597 -59142 -28326 -14051 -19200 -16362 -10929 20910 -20841 -8625 -6048 3676 -7054 -254 -5655 -1937 -2548 5797 167 5324 4203 4685 3528 3096 2919 6491 5810 2839 3470 1255 1599 1502 1140 3991 3209 31 2364 1945 2977 1211 2073 1873 1442 825 919 -504 561 -776 973 536 580 148 313 839 -1326 -1442 -1454 -1110 -1308 -823 -776 -455 156 650 764 1051 1054 403 554 433 -327 -403 -330 -391 242 962 -369 -1202 -931 -974 -228 0 -266 -653 -336 -108 -182 580 965 1003 512 -231 -665 58 151 10 76 -221 377 1343 862 -17 340 -103 332 83 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