File name: Pandora55s1_QueensNY_20230927_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20230928T184000.7Z 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 v1.8.49 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20230927_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: 20230927 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 20230927T113040.1Z 8670.479630 180 1 50.55 2 82.72 98.52 125.07 283.80 0.00 1 0.00 1 0 17 6.885e-01 3.452e-02 2.129e-01 5.224e-03 7.467042e-01 3.016425e-03 9.757247e-03 -6.000000e+00 4.204386e-01 227.95 -2.00 3.51 -2.00 321.62 0.00e+00 2.139423e-02 1.671194e-03 5.137045e-03 -6.000000e+00 2.021680e-02 286.53 -2.00 20.00 -2.00 321.08 0.00e+00 7.274 0.007 302.00 328.00 3 4.5872e-01 1.1137e-02 8.2989e-02 -6.0000e+00 1.0468e+00 8.2325e-01 1.4074e-02 4.0572e-02 -6.0000e+00 1.1410e+00 -1.0975e+00 1.1212e-02 2.6886e-02 -6.0000e+00 6.7407e-01 4.5579e-01 5.3453e-03 1.9546e-02 -6.0000e+00 2.8153e-01 1.0696e-04 -1.5003e-03 1.5386e-04 3.6610e-04 -6.0000e+00 2.1306e-02 1.2711e-02 0.0000e+00 12 9 8 11 4 0 6.89 19.60 0.35 0.01271 0.00144 60 11 1 5 0 842.270 26.00 19.99 19.60 18.05 35.6 1006.46 -44214 900000 -78194 108148 900000 -53709 900000 406479 25431 -91025 -29735 -46005 -143242 900000 85739 -1891 -123597 900000 900000 900000 127355 208652 -27011 82716 91113 900000 216723 21692 -23404 59105 163594 89966 19745 72317 900000 40967 17254 154837 177653 46906 131545 30644 49741 71274 155664 36816 129514 100654 110085 47323 34571 12183 99003 74890 55667 57688 44453 50831 27447 29318 49733 27188 2715 41561 -4265 41436 8906 18296 18707 6304 18226 19520 -498 20010 5159 12246 19526 -355 -5057 -5548 10404 1478 2310 -5169 -1499 -6832 -3070 -4937 -2943 -1291 -3901 -706 -1475 -4371 -2780 -5143 -3464 -2952 -1113 -2554 -945 -649 1879 -650 -2230 -4049 -3185 -2254 812 -584 -3346 -558 -1717 -1765 -907 281 2405 804 369 -382 1507 3108 4184 1392 1461 773 3072 624 206 1589 2216 2063 1665 974 -499 191 -364 -203 -1692 -691 -777 -603 -1542 -1271 900000 -3226 666 900000 -1241 900000 2067 240 -2565 -488 -1064 -10837 900000 1186 -69 -15418 900000 900000 900000 1525 1061 -1254 1304 1282 900000 1102 559 -981 1316 1623 2147 1003 2245 900000 1586 886 2433 2532 2531 3412 2150 3040 3662 3720 2761 4224 4477 4731 3899 3486 1640 6371 6312 5700 5837 5011 5249 3438 3618 5378 4034 571 6732 -1107 7036 2029 3989 4448 1863 5179 5566 -166 5180 1396 2837 4072 -93 -1576 -2056 3849 667 1121 -2834 -840 -4224 -1916 -3208 -1872 -785 -2314 -385 -796 -2538 -1788 -3907 -2992 -2859 -1148 -2703 -942 -593 1568 -551 -2006 -3911 -3218 -2428 931 -753 -4831 -835 -2640 -2673 -1327 398 3374 1186 574 -615 2385 4734 6137 2034 2079 1080 4139 890 323 2743 4154 4109 3479 2149 -1169 463 -904 -509 -4285 -1700 -1838 -1354 -3386 SS 20230927T114141.9Z 8670.487290 183 1 50.54 2 80.66 100.37 126.97 285.94 0.00 1 0.00 1 0 25 4.104e-01 9.802e-03 1.134e-01 1.992e-03 6.458651e-01 1.097528e-03 7.305112e-03 -6.000000e+00 2.458768e-01 227.95 -2.00 3.51 -2.00 320.86 0.00e+00 4.122652e-03 5.025875e-04 4.381683e-04 -6.000000e+00 1.113032e-02 286.53 -2.00 20.00 -2.00 320.24 0.00e+00 5.855 0.004 302.00 328.00 3 4.5235e-01 3.6180e-03 6.7523e-02 -6.0000e+00 6.1033e-01 6.7095e-02 4.8427e-03 3.5090e-02 -6.0000e+00 6.6136e-01 -5.0462e-02 4.6552e-03 1.8462e-02 -6.0000e+00 3.9349e-01 1.0443e-02 2.2458e-03 8.0926e-03 -6.0000e+00 1.6711e-01 5.3230e-04 -1.5435e-04 5.9142e-05 8.6308e-05 -6.0000e+00 1.2585e-02 1.2194e-02 0.0000e+00 12 9 8 11 4 0 -5.47 19.61 0.27 0.01219 0.01103 152 29 1 5 0 332.430 26.00 20.01 19.61 18.70 35.5 1009.50 -174756 900000 -180758 -106503 105577 -127969 900000 -92454 -80134 -155844 -91317 -105409 -155612 900000 -32375 -47156 -62743 101332 27571 52659 -3062 1414 -52464 -21203 -21894 93498 -14688 -28509 -31113 -25666 10489 -12931 -18503 -6558 36642 -6918 -12115 2156 6075 -4111 -128 -5948 -3370 2393 8624 -2966 5975 4580 7993 1604 1549 3 9133 7664 4859 4678 2572 3258 1658 1924 5632 2133 -847 2958 -3083 4605 720 3202 2397 15 1161 1183 -1415 1128 -155 715 3347 866 140 -1429 1754 -1198 -1245 -2106 -1236 -1741 -1000 -1399 -965 422 60 940 985 1407 773 -146 334 -718 -390 -650 -251 125 1384 235 -1109 -1047 -1309 -347 440 98 -731 -17 -271 96 579 905 965 539 -130 -1001 -362 319 164 -1 179 132 1299 629 146 383 313 357 412 209 -284 -29 86 -503 -883 -184 -198 191 340 -2071 900000 -2608 -731 205 -1096 900000 -713 -607 -2622 -925 -1485 -4479 900000 -456 -892 -1539 574 343 543 -55 25 -1641 -540 -602 898 -395 -872 -1016 -900 312 -563 -943 -310 1157 -339 -704 132 427 -366 -12 -638 -370 257 899 -353 676 547 986 227 243 1 1615 1479 1011 1017 581 730 372 433 1292 555 -254 934 -1067 1481 240 1092 911 6 537 564 -681 505 -65 276 1213 332 60 -716 972 -757 -847 -1529 -939 -1399 -832 -1190 -815 343 47 690 709 1046 632 -135 344 -818 -470 -787 -291 134 1399 240 -1199 -1190 -1553 -431 581 141 -1127 -28 -436 150 879 1333 1430 824 -207 -1651 -594 512 258 -2 268 192 1847 924 231 656 573 683 816 432 -613 -65 196 -1164 -2051 -417 -435 403 704 SS 20230927T115140.0Z 8670.494213 188 1 50.54 2 78.81 102.06 128.66 287.95 0.00 1 0.00 1 0 25 1.705e-01 6.690e-03 3.832e-02 1.113e-03 5.597950e-01 5.950719e-04 6.446701e-03 -6.000000e+00 1.013817e-01 227.95 -2.00 3.51 -2.00 320.17 0.00e+00 1.833680e-03 2.166499e-04 7.136743e-04 -6.000000e+00 4.562559e-03 286.53 -2.00 20.00 -2.00 319.48 0.00e+00 4.970 0.002 302.00 328.00 3 3.5238e-01 1.7908e-03 5.7622e-02 -6.0000e+00 2.5143e-01 3.2943e-02 2.2230e-03 3.0360e-02 -6.0000e+00 2.7223e-01 -1.3291e-02 1.9561e-03 1.4685e-02 -6.0000e+00 1.6256e-01 -3.8317e-03 9.9157e-04 5.3297e-03 -6.0000e+00 6.9008e-02 1.4895e-03 -9.3016e-06 3.3309e-05 5.6285e-05 -6.0000e+00 5.1238e-03 1.2198e-02 0.0000e+00 11 9 0 11 4 0 -5.12 19.62 0.25 0.01220 0.01213 270 51 1 5 0 187.140 26.00 19.97 19.62 19.22 35.6 1012.28 -66523 40695 -84062 -64298 -31187 -63106 32993 -54991 -17602 -64035 -32454 -44553 -59327 11195 -14166 -18632 -6784 16700 -4379 4410 -10974 1542 -18168 -8301 -4900 5951 -9689 -11300 -11049 -5714 1174 -3098 -6361 -2672 6272 -4722 -2500 -626 -238 -3239 -1833 -3226 -1612 -870 1155 -313 836 1345 1662 1264 1770 372 2915 2280 1711 1766 570 594 873 1109 2419 1912 637 928 -400 2028 679 1646 1095 118 -192 -113 -599 -159 157 476 1355 949 -13 -479 -19 -1576 -1234 -1440 -1152 -1211 -860 -643 -498 88 478 796 1552 1560 1105 524 575 -293 -479 -292 -300 238 875 -86 -851 -506 -927 -312 93 -30 -433 -220 -164 5 563 930 1039 503 -310 -996 -504 -219 -215 -73 41 320 1398 928 337 355 -12 480 349 218 -374 -209 197 -419 -661 -204 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