File name: Pandora55s1_QueensNY_20211213_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T105207.9Z 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_20211213_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: 20211213 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 20211213T132047.2Z 8017.556102 143 1 49.02 2 80.22 132.51 134.44 11.85 0.00 1 0.00 1 0 25 4.108e-01 8.831e-03 1.989e-01 1.837e-03 7.076643e-01 9.871098e-04 8.180617e-03 -6.000000e+00 2.384842e-01 222.85 -2.00 3.51 -2.00 320.96 0.00e+00 4.202038e-03 4.462430e-04 3.001667e-03 -6.000000e+00 1.068082e-02 277.47 -2.00 20.00 -2.00 320.45 0.00e+00 5.622 0.003 302.00 328.00 3 4.2069e-01 3.1474e-03 6.8954e-02 -6.0000e+00 5.8639e-01 7.5236e-02 4.3449e-03 4.4160e-02 -6.0000e+00 6.3880e-01 -5.4860e-02 4.6272e-03 1.9898e-02 -6.0000e+00 3.8133e-01 1.2325e-02 2.2360e-03 7.5148e-03 -6.0000e+00 1.6113e-01 6.3611e-04 -2.3380e-03 5.1882e-05 8.1575e-05 -6.0000e+00 1.2268e-02 -5.0729e-04 -1.0408e-04 11 9 0 11 8 0 85.82 22.68 0.26 -0.00051 -0.01808 164 31 1 5 0 298.830 25.58 20.00 22.68 11.17 29.9 974.97 -56097 -88844 900000 -210137 2266 -112758 -98981 14918 -387 -114014 -191834 -121595 -129595 -127486 132810 -53378 -98511 12734 41316 43488 -28139 -21745 -8026 -28563 -20212 -36381 95259 -27873 -10652 -53113 5685 -958 9686 -28790 -2371 36443 -13941 -7159 10502 5630 -7039 1132 -8172 685 853 10209 -6284 8984 4779 8392 3800 69 462 4494 8585 1080 4728 -846 3829 -281 1509 5637 2443 -251 2942 209 3109 998 1085 2143 -178 356 694 -1192 1222 -954 2162 2145 938 49 132 474 -1094 -1434 -1644 -1258 -1330 -783 -1435 -371 -368 649 377 1392 1099 1006 33 671 -238 -922 -281 -254 530 1180 25 -1176 -549 -1239 44 300 -172 -826 -120 -6 -90 982 821 1433 177 -472 -994 -527 -247 234 176 -24 506 1257 758 -34 210 185 544 304 129 -439 -220 153 -457 -606 -118 59 38 298 -118 -317 900000 -2769 4 -551 -447 27 -1 -845 -3261 -1213 -1738 -2194 238 -727 -2392 123 335 371 -497 -371 -124 -579 -413 -927 723 -684 -225 -1778 127 -28 301 -1414 -94 1004 -643 -355 532 356 -576 95 -798 64 83 932 -688 894 520 948 492 10 76 782 1550 220 970 -185 797 -60 318 1215 602 -72 890 67 975 323 372 813 -77 163 324 -553 523 -385 786 762 354 21 66 267 -695 -980 -1188 -954 -1058 -645 -1205 -306 -295 491 274 991 824 838 31 706 -277 -1137 -343 -294 568 1196 26 -1275 -621 -1470 54 400 -250 -1292 -194 -10 -144 1510 1235 2159 277 -769 -1659 -870 -398 366 268 -36 735 1792 1125 -54 369 346 1067 618 274 -974 -502 356 -1072 -1420 -271 130 80 619 SS 20211213T132811.4Z 8017.561243 148 1 49.36 2 79.19 133.89 134.11 14.29 0.00 1 0.00 1 0 25 3.775e-01 9.914e-03 1.196e-01 1.980e-03 6.532738e-01 1.053274e-03 7.516501e-03 -6.000000e+00 2.191745e-01 222.85 -2.00 3.51 -2.00 320.70 0.00e+00 3.355293e-03 4.369972e-04 1.508886e-03 -6.000000e+00 9.814723e-03 277.47 -2.00 20.00 -2.00 320.17 0.00e+00 5.137 0.002 302.00 328.00 3 1.0777e+00 3.2477e-03 6.1710e-02 -6.0000e+00 5.3891e-01 8.0851e-02 4.2626e-03 3.6393e-02 -6.0000e+00 5.8705e-01 -6.6622e-02 4.2798e-03 1.7713e-02 -6.0000e+00 3.5044e-01 1.8292e-02 2.1127e-03 6.3331e-03 -6.0000e+00 1.4810e-01 5.4788e-04 -1.9644e-03 5.7034e-05 7.1656e-05 -6.0000e+00 1.1272e-02 -1.9604e-04 -5.0927e-05 12 8 8 10 0 0 99.76 22.68 0.28 -0.00020 -0.01496 132 25 1 5 0 373.900 25.58 20.02 22.68 11.87 30.1 978.43 -130001 -50329 900000 -176425 -81640 -87540 -141919 67777 -98962 -72197 -157648 -78643 -120111 -98499 109994 -43709 -73245 -18004 51994 22891 285 -26353 -8017 -31233 -16425 -26341 48860 -20984 -22829 -45385 -12014 9594 -7958 -21586 -5686 37228 -9147 -7597 12967 3861 -5710 519 -3813 -2645 2731 5853 -1030 4729 5047 6918 3001 -1134 682 7766 6424 3063 5032 788 3224 548 1962 5130 2729 596 3830 -264 4367 1304 3326 1896 -60 -369 1038 -1535 900 -432 815 2409 617 180 -1222 287 -1441 -1330 -2267 -1554 -1790 -786 -815 -713 -226 -361 808 1244 1224 869 122 217 -129 -572 -630 -195 336 1136 -325 -894 -1078 -842 -81 431 94 -868 -26 -344 58 862 1171 1284 276 -401 -972 -553 -166 445 8 332 280 1840 959 -125 279 41 422 111 454 -493 -49 42 -439 -551 -213 -68 46 148 -1095 -236 900000 -3088 -557 -616 -1772 131 -1041 -646 -3404 -907 -2497 -2138 413 -869 -2212 -365 596 368 6 -715 -189 -976 -488 -913 868 -715 -793 -2039 -451 350 -401 -1347 -314 1379 -542 -508 858 330 -610 58 -468 -335 336 719 -138 619 690 989 481 -209 136 1585 1423 734 1234 203 808 138 491 1318 794 197 1338 -98 1547 479 1260 809 -29 -190 539 -797 434 -195 336 950 259 85 -670 175 -984 -973 -1759 -1261 -1527 -690 -729 -631 -193 -294 621 940 964 756 119 235 -153 -718 -788 -232 369 1184 -346 -999 -1262 -1024 -103 587 138 -1376 -43 -564 93 1321 1748 1927 429 -649 -1615 -912 -267 697 12 496 409 2609 1416 -200 482 75 808 221 935 -1065 -109 96 -1002 -1256 -475 -146 95 302 SS 20211213T133404.4Z 8017.565329 151 1 48.84 2 78.40 135.01 133.81 16.20 0.00 1 0.00 1 0 25 2.330e-01 7.415e-03 7.391e-02 1.274e-03 6.182253e-01 6.679655e-04 7.250902e-03 -6.000000e+00 1.352649e-01 222.85 -2.00 3.51 -2.00 320.32 0.00e+00 2.099261e-03 2.475462e-04 1.703539e-03 -6.000000e+00 5.980400e-03 277.47 -2.00 20.00 -2.00 319.77 0.00e+00 4.813 0.002 302.00 328.00 3 6.6331e-01 1.9812e-03 5.7966e-02 -6.0000e+00 3.3259e-01 5.8573e-02 2.5026e-03 3.4302e-02 -6.0000e+00 3.6230e-01 -3.1920e-02 2.4132e-03 1.6493e-02 -6.0000e+00 2.1614e-01 2.0476e-03 1.2210e-03 5.2519e-03 -6.0000e+00 9.1001e-02 1.1707e-03 -1.8893e-03 3.6695e-05 6.3984e-05 -6.0000e+00 6.9473e-03 -3.8462e-04 -4.3245e-05 11 8 0 10 0 0 98.47 22.69 0.19 -0.00038 -0.01458 188 36 1 5 0 259.760 25.58 19.99 22.69 12.06 29.9 978.80 -86867 -43333 100667 -117730 -40290 -66585 -60085 -8187 -19139 -85105 -82723 -68689 -67164 -58521 942 -18851 -31734 -14202 6480 12271 -5449 -5386 -2121 -13062 -13694 -10578 20024 -11123 -12580 -23924 2075 -4541 2550 -15218 703 7928 -2580 -3942 3551 1665 -4056 -145 -5053 -1648 -2125 3559 -2393 2797 610 2840 1798 610 2031 2802 3586 771 2763 -966 1298 450 2055 3165 2377 860 465 559 1273 1312 1487 1659 -293 -429 -438 -979 -2 -323 874 1647 919 -316 -13 -438 -1353 -1471 -1702 -1131 -1109 -492 -822 -394 -216 696 688 1804 1390 1500 467 794 -436 -654 -341 -239 448 996 -59 -1103 -534 -952 43 -48 -196 -713 -176 155 72 726 1029 1045 243 -339 -1008 -523 -448 -252 -19 29 694 1444 964 9 482 80 423 167 246 -437 -241 69 -480 -479 -109 21 65 214 -730 -287 181 -1743 -276 -572 -514 -48 -142 -1289 -1320 -1073 -1246 -1260 15 -419 -909 -384 157 302 -164 -166 -66 -478 -550 -440 649 -479 -546 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