File name: Pandora55s1_QueensNY_20250322_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20250323T051011.6Z 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 v1.8.74 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20250322_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: 20250322 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 20250322T121217.9Z 9212.508541 192 1 6.04 2 76.23 101.01 72.03 195.46 0.00 1 0.00 1 0 25 5.391e-01 1.308e-02 2.530e-01 6.529e-03 6.526063e-01 3.502126e-03 7.477815e-03 -6.000000e+00 3.188748e-01 226.72 -2.00 3.51 -2.00 320.28 0.00e+00 5.098437e-03 1.277895e-03 8.207736e-04 -6.000000e+00 1.432222e-02 277.82 -2.00 20.00 -2.00 319.74 0.00e+00 4.104 0.001 302.00 328.00 3 2.3953e+00 1.0352e-02 5.3733e-02 -6.0000e+00 7.9058e-01 9.7171e-02 1.3059e-02 3.5719e-02 -6.0000e+00 8.5780e-01 -7.4186e-02 1.2487e-02 1.8070e-02 -6.0000e+00 5.1064e-01 2.4248e-02 6.3004e-03 8.4383e-03 -6.0000e+00 2.1537e-01 3.6529e-04 -9.0458e-04 1.8534e-04 7.8391e-05 -6.0000e+00 1.6292e-02 -9.3467e-04 0.0000e+00 12 9 9 12 1 1 -266.67 21.81 0.12 -0.00093 -0.00773 5 9 1 5 0 1004.140 26.21 19.99 21.81 13.21 36.9 1053.09 -176131 -156899 900000 -184650 900000 165658 21474 -58704 426 -77257 -144149 -73251 -72638 39400 376941 -20538 -55109 5835 108794 202018 -35091 52440 -16139 -18542 -23091 -16958 144229 -32838 7134 -42793 8696 29256 10890 -16167 13534 47256 8291 -12329 118 2582 -14647 -1767 -6333 -2636 -5240 11949 -3788 11225 4588 8027 -954 3910 2286 5284 8960 2829 4596 1414 3699 919 2088 5506 3054 -1056 3780 -1822 3040 247 1191 3201 -84 2712 1869 -1410 522 90 832 1357 -342 -2962 -1918 375 -2524 -1338 -897 -1769 -2357 -1208 -1713 -366 -559 -517 138 2635 631 1424 691 54 -768 -355 -947 -855 1083 1071 1387 -944 -16 -1248 -461 -101 273 -381 -916 507 -129 611 1043 1636 148 356 -1183 -644 -51 9 -14 207 775 1512 615 -397 1161 73 547 565 696 -663 -296 -125 -311 -1076 -532 -233 223 580 -3190 -2896 900000 -5003 900000 1055 137 -526 3 -1001 -3682 -1079 -1282 316 2399 -440 -1879 128 1012 1286 -1358 934 -549 -680 -946 -698 1407 -1621 245 -2420 346 1140 590 -1241 819 2071 537 -1082 11 278 -2117 -250 -995 -419 -874 1752 -654 1749 789 1413 -197 848 553 1349 2369 826 1372 440 1121 281 632 1698 1052 -419 1562 -817 1296 108 537 1550 -46 1556 1108 -843 293 47 403 627 -165 -1605 -1176 254 -1919 -1075 -753 -1567 -2190 -1150 -1667 -351 -522 -461 117 2148 535 1304 703 61 -950 -460 -1235 -1070 1252 1176 1521 -1093 -20 -1563 -601 -139 404 -599 -1500 827 -207 944 1566 2450 229 569 -1954 -1057 -81 14 -21 309 1122 2142 895 -620 1932 130 1009 1075 1371 -1364 -628 -269 -675 -2344 -1135 -480 442 1123 SS 20250322T122233.0Z 9212.515660 195 1 50.23 2 74.32 102.79 72.56 197.68 0.00 1 0.00 1 0 25 2.377e-01 1.003e-02 5.324e-02 1.960e-03 5.872446e-01 1.039251e-03 6.814232e-03 -6.000000e+00 1.414904e-01 226.72 -2.00 3.51 -2.00 319.88 0.00e+00 1.457458e-03 3.325237e-04 7.181957e-04 -6.000000e+00 6.188325e-03 277.82 -2.00 20.00 -2.00 319.31 0.00e+00 3.636 0.001 302.00 328.00 3 2.8381e+00 2.9839e-03 4.7604e-02 -6.0000e+00 3.5131e-01 6.1549e-02 3.6165e-03 3.1058e-02 -6.0000e+00 3.8139e-01 -3.4927e-02 3.2156e-03 1.5393e-02 -6.0000e+00 2.2616e-01 7.6585e-03 1.6604e-03 4.8046e-03 -6.0000e+00 9.4795e-02 3.9943e-04 -1.0325e-03 5.7334e-05 5.5953e-05 -6.0000e+00 7.1984e-03 6.7090e-04 0.0000e+00 12 9 8 11 8 0 99.79 21.82 0.13 0.00067 -0.00709 48 9 1 5 0 1046.190 26.21 20.00 21.82 13.52 36.7 1054.13 -95021 -109063 900000 -139646 -11022 50690 -55007 900000 -22206 -46320 -83484 -29959 -45547 -11952 74872 -12351 -36368 22061 50110 23811 -21067 1825 9257 -30232 -1895 -9011 58100 -9982 -11345 -23756 -2186 4217 1205 -4120 -2497 19998 -8455 -9138 5460 7409 -5226 2403 -5825 -2777 -2644 8613 -3424 5081 4101 4832 1198 1134 -1078 6105 4859 2366 3460 281 782 -398 -593 3652 1310 -1247 1645 -1707 1589 443 896 1434 110 1025 1012 -1506 1599 -699 880 2202 639 -695 -1059 634 -1705 -1199 -1761 -892 -2103 -874 -1186 -218 -140 -244 1002 1455 723 1431 267 265 -329 -503 -260 -616 294 1107 -50 -742 -500 -1186 -220 721 109 -821 -14 53 -111 515 814 911 428 -204 -1392 -204 111 523 -98 250 -27 1310 749 103 593 286 587 107 322 -349 -133 129 -320 -678 -302 -139 -111 151 -1451 -2241 900000 -4248 -99 247 -743 900000 -280 -801 -2161 -517 -1062 -253 879 -383 -1599 628 1195 769 -1071 77 374 -1863 -98 -532 1913 -613 -695 -1660 -137 290 98 -387 -238 1526 -864 -1057 660 1042 -943 445 -1226 -592 -572 1714 -769 1081 901 1104 301 312 -330 1897 1623 845 1270 107 297 -150 -224 1382 549 -586 812 -887 789 220 459 797 67 668 677 -1013 1006 -419 483 1144 343 -409 -704 463 -1386 -1031 -1591 -837 -2082 -887 -1225 -222 -139 -232 901 1268 647 1367 282 308 -414 -663 -342 -780 349 1245 -57 -882 -617 -1522 -293 1007 163 -1303 -23 86 -177 787 1210 1351 652 -322 -2269 -331 177 812 -148 370 -39 1844 1077 158 967 493 1047 196 611 -688 -271 267 -668 -1418 -620 -277 -213 286 SS 20250322T123242.8Z 9212.522718 198 1 50.50 2 72.45 104.58 73.16 199.84 0.00 1 0.00 1 0 25 7.864e-02 6.348e-03 1.029e-02 6.461e-04 5.339261e-01 3.365328e-04 6.262905e-03 -6.000000e+00 4.647326e-02 226.72 -2.00 3.51 -2.00 319.30 0.00e+00 1.034444e-03 8.926730e-05 5.079778e-04 -6.000000e+00 2.022894e-03 277.82 -2.00 20.00 -2.00 318.71 0.00e+00 3.270 0.001 302.00 328.00 3 1.1324e+00 9.3577e-04 4.2874e-02 -6.0000e+00 1.1527e-01 5.0362e-02 1.0941e-03 2.7834e-02 -6.0000e+00 1.2507e-01 -2.3729e-02 8.7722e-04 1.3765e-02 -6.0000e+00 7.4423e-02 1.6901e-03 4.6199e-04 4.1180e-03 -6.0000e+00 3.1211e-02 3.3254e-03 -8.1997e-04 1.9014e-05 4.9294e-05 -6.0000e+00 2.3449e-03 4.8101e-04 0.0000e+00 10 0 0 10 0 0 99.39 21.82 0.20 0.00048 -0.00568 361 68 1 5 0 139.850 26.21 20.01 21.82 13.71 36.9 1055.99 -31004 -36587 652 -45111 -14256 -31761 -12125 -19415 -13157 -23560 -23904 -19295 -18415 -5948 -3572 -1166 -8683 -903 1396 2563 -7213 575 -2237 -2185 -2099 -3782 2226 -6182 -643 -6243 1740 -1289 2058 -2760 -657 1742 -2193 -414 24 244 -1956 -233 -1958 -675 -853 749 -897 439 193 1258 1487 663 1191 1409 1589 594 1261 -164 456 304 1160 1680 1512 971 -289 296 524 876 1195 1045 123 0 -598 -546 -455 -230 664 466 1387 -181 32 -604 -1432 -1459 -1302 -1207 -959 -593 -482 -397 -43 641 708 1650 1403 1199 816 809 -332 -527 -368 -506 77 738 -79 -1102 -483 -943 -112 -48 -117 -313 -248 71 20 743 839 870 466 -276 -833 -484 -195 -333 44 -10 393 1341 1031 226 422 62 347 208 194 -322 -175 199 -490 -485 -237 -109 -60 258 -504 -748 10 -1109 -244 -620 -201 -389 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