File name: Pandora55s1_QueensNY_20211221_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T110916.3Z 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_20211221_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: 20211221 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 20211221T133342.3Z 8025.565073 311 1 49.48 2 79.18 134.35 82.67 296.23 0.00 1 0.00 1 0 25 4.447e-01 2.278e-02 1.465e-01 4.197e-03 6.000887e-01 2.296310e-03 6.892657e-03 -6.000000e+00 2.665251e-01 222.99 -2.00 3.51 -2.00 320.56 0.00e+00 3.468659e-03 8.968399e-04 8.018240e-04 -6.000000e+00 1.333596e-02 276.87 -2.00 20.00 -2.00 320.03 0.00e+00 5.132 0.002 302.00 328.00 3 2.5751e+00 6.9538e-03 5.9716e-02 -6.0000e+00 6.5896e-01 1.8460e-01 8.8699e-03 3.2435e-02 -6.0000e+00 7.2337e-01 -1.8024e-01 8.3179e-03 1.6190e-02 -6.0000e+00 4.2697e-01 6.7924e-02 4.1308e-03 6.1909e-03 -6.0000e+00 1.7772e-01 1.2701e-04 -2.2114e-03 1.2878e-04 6.8519e-05 -6.0000e+00 1.3743e-02 2.7382e-04 -5.9714e-05 12 9 8 11 32 0 86.16 22.68 0.27 0.00027 -0.01634 23 4 1 5 0 2151.010 25.58 19.99 22.68 7.62 29.6 957.74 36175 900000 900000 -193095 900000 900000 -101341 900000 276313 -110417 -165686 -13170 -154255 -88936 -56201 34425 -78988 900000 900000 900000 900000 -4395 137700 -40357 61362 -25808 900000 4450 -14667 -36317 15587 64131 8606 -10350 10766 900000 -20802 2504 39741 41981 -3165 25496 -8328 115 13331 34864 -2604 25228 23313 27148 7523 1209 -1942 27809 29142 8912 -892 9316 9768 5593 4471 14688 3336 -3005 -1580 -3073 9765 -1872 5229 977 -2111 1161 6549 -3921 10087 -81 2632 -6223 -1093 -1513 -4120 3706 -1187 306 -6004 -1033 -3976 -1283 -3018 459 -2882 -1657 1363 -671 344 -30 -2806 -394 97 -2437 -444 -582 419 3057 1265 264 -725 -349 437 2041 194 -2109 198 280 -835 -363 1556 2000 78 -324 -873 -604 1138 1917 -300 536 217 1537 -22 -309 -10 1355 1043 904 295 -125 312 -65 -398 -1069 -603 -603 140 -489 148 900000 900000 -8176 900000 900000 -1718 900000 1129 -2683 -7130 -150 -7791 -3048 -1751 549 -4095 900000 900000 900000 900000 -149 1255 -2050 1299 -1297 900000 171 -665 -2075 615 1884 488 -758 659 900000 -1743 191 2555 3118 -406 2743 -1290 17 1783 3895 -417 3202 3109 3677 1315 246 -444 5226 5786 2214 -251 2416 2495 1455 1182 3738 1035 -1094 -612 -1231 3427 -726 1994 427 -1051 600 3299 -2118 4575 -37 1087 -2672 -464 -716 -2287 2173 -801 218 -4744 -827 -3425 -1122 -2723 399 -2488 -1348 1026 -502 265 -26 -2711 -417 112 -3006 -537 -668 445 3041 1292 284 -822 -413 541 2676 278 -3271 311 440 -1289 -538 2217 2851 116 -504 -1398 -964 1755 2873 -445 770 304 2099 -32 -473 -17 2356 1896 1702 579 -257 660 -141 -868 -2343 -1293 -1248 277 -960 SS 20211221T134009.2Z 8025.569550 314 1 50.91 2 78.32 135.57 83.73 297.16 0.00 1 0.00 1 0 25 3.482e-01 1.575e-02 6.957e-02 3.122e-03 5.653933e-01 1.665176e-03 6.543090e-03 -6.000000e+00 2.052712e-01 222.99 -2.00 3.51 -2.00 320.26 0.00e+00 3.730447e-03 5.936198e-04 9.307679e-04 -6.000000e+00 9.619930e-03 276.87 -2.00 20.00 -2.00 319.71 0.00e+00 4.782 0.002 302.00 328.00 3 2.4583e+00 4.8955e-03 5.5856e-02 -6.0000e+00 5.0445e-01 1.2141e-01 6.0814e-03 3.0764e-02 -6.0000e+00 5.5046e-01 -9.4716e-02 5.5742e-03 1.5007e-02 -6.0000e+00 3.2585e-01 3.1049e-02 2.8272e-03 6.0171e-03 -6.0000e+00 1.3814e-01 2.0826e-04 -1.7911e-03 9.4487e-05 6.2153e-05 -6.0000e+00 1.0698e-02 -1.2994e-04 -6.4767e-05 12 8 8 10 0 0 89.33 22.68 0.22 -0.00013 -0.01359 33 6 1 5 0 1542.370 25.58 19.99 22.68 7.89 29.5 958.71 -60975 900000 900000 -161481 900000 900000 -95478 900000 17759 -96770 -126783 -37388 -107169 -70912 900000 -10109 -62159 2288 108101 81610 70465 -6562 28997 -37018 13138 -20012 184923 -5389 -26799 -28811 -4777 21404 2644 -16417 -117 85821 -10559 -777 16759 11377 -6655 6350 -9283 -2572 3737 17074 -5701 12942 10749 12982 1404 -408 -3632 13468 14307 4500 8489 2190 4206 2143 1306 7285 1415 -1872 3933 -3354 3883 -1913 3154 2170 -2254 -60 2923 -3256 3661 -2062 2334 5132 -1313 -1510 -2973 453 -735 -419 -3571 -1568 -2068 -803 -1952 -243 -855 -448 1289 584 756 257 -1295 413 -196 -1220 -580 -563 447 2069 812 -386 -747 -1245 729 1275 -75 -1605 9 -55 -467 322 859 1743 115 76 -1053 -344 529 1225 15 -282 85 1393 680 -71 197 747 657 501 469 -371 37 101 -351 -777 -279 -421 6 -283 -697 900000 900000 -5938 900000 900000 -1817 900000 144 -2467 -4514 -638 -4136 -2433 900000 -288 -3244 72 1376 1409 1398 -269 875 -2171 519 -1134 1595 -271 -1628 -1840 -271 1109 188 -1504 -9 3058 -955 -73 1584 1334 -1043 965 -1718 -464 648 2671 -1117 2183 1905 2367 304 -98 -985 3374 3771 1350 2544 699 1309 669 415 2305 518 -778 1664 -1543 1641 -843 1386 1061 -1258 -35 1698 -1957 1973 -1082 1093 2259 -629 -802 -1819 301 -541 -327 -3007 -1366 -1899 -756 -1883 -230 -786 -391 1053 470 626 232 -1311 457 -237 -1552 -731 -674 498 2182 877 -439 -892 -1549 939 1741 -111 -2537 15 -88 -728 481 1245 2524 174 120 -1706 -556 833 1878 22 -415 121 1939 978 -110 327 1304 1190 937 911 -751 76 214 -754 -1675 -586 -861 11 -550 SS 20211221T134542.4Z 8025.573408 317 1 50.43 2 77.59 136.64 84.64 297.98 0.00 1 0.00 1 0 25 2.627e-01 1.185e-02 9.828e-02 2.367e-03 5.412466e-01 1.237437e-03 6.317650e-03 -6.000000e+00 1.535904e-01 222.99 -2.00 3.51 -2.00 320.00 0.00e+00 2.416438e-03 4.061406e-04 6.696392e-04 -6.000000e+00 6.811664e-03 276.87 -2.00 20.00 -2.00 319.43 0.00e+00 4.522 0.002 302.00 328.00 3 2.2273e+00 3.5667e-03 5.2770e-02 -6.0000e+00 3.7837e-01 9.3210e-02 4.3326e-03 2.8529e-02 -6.0000e+00 4.1247e-01 -5.8369e-02 3.8273e-03 1.4142e-02 -6.0000e+00 2.4502e-01 1.3531e-02 1.9708e-03 4.7235e-03 -6.0000e+00 1.0298e-01 3.4776e-04 -1.8884e-03 7.1044e-05 5.4749e-05 -6.0000e+00 7.9631e-03 3.8091e-04 -9.4446e-05 12 8 8 10 0 0 52.37 22.68 0.21 0.00038 -0.01381 49 9 1 5 0 1029.110 25.58 20.00 22.68 8.15 29.5 960.11 -74207 -15786 900000 -125402 175322 -1098 -45715 900000 8348 -56215 -101119 -8157 -88159 -37177 28935 2066 -54907 -6563 31937 31092 17095 -5876 15747 -23451 7513 -18036 74949 -7953 -6205 -31648 5995 5630 3371 -13596 -4725 31538 -11400 908 3366 8540 -5193 4522 -6674 -1599 1662 7555 -4821 4571 6811 4701 2243 -651 1278 6650 8475 2141 4882 561 1771 660 897 5327 1550 -761 823 -1067 1957 -265 2392 1748 -1191 -107 994 -2859 1942 -684 2231 2769 648 -480 -1526 318 -1318 -904 -2911 -981 -2361 -402 -1447 -124 -998 109 696 1082 1012 832 66 376 307 -1130 -451 -730 525 1170 313 -649 -771 -777 -79 748 224 -1050 -139 87 -359 692 646 1543 120 -187 -997 -520 457 674 234 8 482 1298 502 -125 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