File name: Pandora55s1_QueensNY_20230803_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20230805T010816.6Z 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_20230803_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: 20230803 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 20230803T110624.4Z 8615.462782 219 1 50.39 2 77.79 77.31 82.64 244.11 0.00 1 0.00 1 0 25 4.883e-01 1.544e-02 1.423e-01 2.617e-03 6.324575e-01 1.450982e-03 7.200596e-03 -6.000000e+00 2.980026e-01 232.23 -2.00 3.51 -2.00 320.49 0.00e+00 5.037318e-03 5.885113e-04 5.757994e-04 -6.000000e+00 1.389459e-02 290.02 -2.00 20.00 -2.00 319.78 0.00e+00 4.586 0.002 302.00 328.00 3 2.2038e+00 4.5645e-03 5.6946e-02 -6.0000e+00 7.4541e-01 1.1442e-01 5.8461e-03 3.3934e-02 -6.0000e+00 8.0493e-01 -1.1710e-01 5.1582e-03 1.8114e-02 -6.0000e+00 4.7841e-01 4.3303e-02 2.5469e-03 8.2336e-03 -6.0000e+00 2.0174e-01 2.9035e-04 -3.2379e-04 7.6835e-05 8.7184e-05 -6.0000e+00 1.5051e-02 1.3132e-02 0.0000e+00 12 9 8 11 4 0 98.07 22.63 0.32 0.01313 0.01070 45 9 1 5 0 1119.480 26.00 19.97 22.63 27.00 35.7 1069.02 -166718 900000 -189673 126445 -33722 -125297 900000 -42626 -87103 -122670 -85964 -121255 -160394 900000 -14701 -77802 6437 318579 114775 93581 39233 39187 -55506 4146 -24343 900000 -12575 -8947 -39826 -10260 12683 5412 -22287 6822 64374 -10428 -7365 8396 23229 -4887 11251 -5674 432 4399 19277 -1679 15360 9852 11420 4839 2626 592 13651 13060 3783 8880 3025 5612 1400 2234 7088 1753 -1533 4385 -4051 5464 501 1017 2987 -998 1372 1967 -1784 3577 -1326 860 3722 701 -2933 -2420 1713 -1185 -1290 -3226 -1366 -2599 -1059 -1862 -232 -401 -2 780 1520 842 -821 -725 250 -385 -928 -313 -998 329 1128 289 -1123 -1062 -921 18 909 -10 -903 -207 36 -534 423 721 1523 379 -340 -905 -126 759 927 192 161 318 1032 834 -205 754 506 1024 511 172 -389 281 223 -373 -862 -575 -505 -238 43 -3442 900000 -5496 323 -205 -1886 900000 -360 -1220 -2560 -1395 -3283 -7910 900000 -284 -3130 132 813 985 1025 735 749 -2711 125 -1012 900000 -485 -333 -2043 -446 528 281 -1658 400 2178 -731 -563 661 1891 -592 1293 -811 61 614 2400 -260 2085 1458 1763 851 519 131 2912 3008 988 2304 840 1512 387 615 1961 558 -559 1647 -1690 2078 198 417 1323 -506 733 1072 -991 1809 -651 382 1547 307 -1463 -1376 1064 -831 -969 -2588 -1136 -2291 -957 -1727 -212 -356 -1 623 1177 675 -725 -711 271 -457 -1165 -394 -1205 368 1194 309 -1264 -1251 -1128 23 1226 -15 -1408 -334 58 -845 644 1065 2248 579 -541 -1482 -206 1210 1441 293 240 461 1459 1206 -319 1260 897 1886 974 342 -806 599 485 -820 -1904 -1245 -1061 -481 85 SS 20230803T111644.0Z 8615.469954 225 1 10.45 2 75.88 78.91 84.32 245.87 0.00 1 0.00 1 0 25 2.717e-01 1.169e-02 1.384e-01 4.887e-03 5.617578e-01 2.640609e-03 6.410864e-03 -6.000000e+00 1.641402e-01 232.23 -2.00 3.51 -2.00 319.92 0.00e+00 2.944183e-03 8.813855e-04 2.592084e-04 -6.000000e+00 7.472594e-03 290.02 -2.00 20.00 -2.00 319.15 0.00e+00 4.006 0.001 302.00 328.00 3 2.4612e+00 7.8172e-03 5.0017e-02 -6.0000e+00 4.1085e-01 6.5951e-02 9.5451e-03 3.0023e-02 -6.0000e+00 4.4309e-01 -4.4516e-02 7.9091e-03 1.5018e-02 -6.0000e+00 2.6436e-01 1.1629e-02 4.0433e-03 5.8811e-03 -6.0000e+00 1.1215e-01 4.2396e-04 3.8258e-04 1.4462e-04 5.9797e-05 -6.0000e+00 8.1742e-03 9.5732e-03 0.0000e+00 12 9 9 12 5 1 -92.47 22.65 0.18 0.00957 0.01245 8 8 1 5 0 1141.370 26.00 19.98 22.65 27.30 35.6 1070.71 -122174 900000 -105698 10429 -85861 -61682 139643 31327 -83288 -42746 -54968 -70547 11406 55607 -2651 -41531 8074 38496 84578 19971 13776 1091 -20455 -1554 -23973 81379 -26068 -324 -31017 7020 -4436 10138 -19839 6007 11340 -4549 -5571 6273 5359 -7119 7389 -10836 -2755 -4088 4741 -6330 6744 1264 4364 944 -693 -851 6678 7792 2539 7048 1434 2792 1622 2780 3871 768 -1649 2420 -1267 3051 974 1424 2191 -1113 557 -129 -1991 799 691 470 3276 710 -1682 -1211 -185 -132 -1198 -2489 -704 -1648 -462 -1568 -803 -649 381 500 2079 179 351 271 399 0 -677 -461 -500 84 730 711 -1378 51 -1330 -211 1070 -296 -837 -680 236 -131 858 808 1459 -128 13 -1216 -873 431 618 462 77 526 759 1199 14 835 -145 566 488 555 -371 259 -41 -397 -751 -734 -414 -100 441 -3100 900000 -2569 83 -1602 -953 665 255 -2135 -800 -1247 -2164 202 806 -78 -1994 270 1053 1619 720 540 49 -1186 -81 -1647 2181 -1878 -18 -2353 410 -333 767 -2164 530 940 -451 -627 754 768 -1302 1300 -2370 -583 -893 976 -1458 1415 285 999 236 -192 -258 2043 2505 892 2471 534 1025 593 1012 1457 322 -774 1178 -649 1479 474 713 1189 -680 359 -86 -1328 500 406 257 1673 377 -986 -796 -134 -105 -1014 -2231 -654 -1610 -464 -1617 -819 -645 359 448 1792 159 334 284 457 0 -885 -601 -628 99 819 803 -1646 63 -1714 -281 1494 -444 -1326 -1106 381 -207 1302 1194 2149 -195 20 -1985 -1428 688 965 706 115 764 1080 1728 22 1365 -251 1010 896 1052 -734 527 -86 -833 -1580 -1520 -832 -194 839 SS 20230803T112719.1Z 8615.477304 228 1 50.96 2 73.90 80.54 86.07 247.64 0.00 1 0.00 1 0 25 1.832e-01 1.036e-02 3.780e-02 1.875e-03 5.030449e-01 1.003830e-03 5.819592e-03 -6.000000e+00 1.106120e-01 232.23 -2.00 3.51 -2.00 319.46 0.00e+00 1.921539e-03 2.857434e-04 3.084168e-04 -6.000000e+00 5.039699e-03 290.02 -2.00 20.00 -2.00 318.65 0.00e+00 3.545 0.001 302.00 328.00 3 2.8023e+00 2.8726e-03 4.4510e-02 -6.0000e+00 2.7686e-01 5.7081e-02 3.3996e-03 2.6959e-02 -6.0000e+00 2.9866e-01 -4.1753e-02 2.5896e-03 1.3040e-02 -6.0000e+00 1.7818e-01 1.2139e-02 1.3425e-03 4.4386e-03 -6.0000e+00 7.5526e-02 5.0296e-04 -1.8185e-04 5.6233e-05 4.7025e-05 -6.0000e+00 5.5119e-03 1.4456e-02 0.0000e+00 12 9 8 11 4 0 99.67 22.65 0.24 0.01446 0.01309 45 9 1 5 0 1132.230 26.00 20.02 22.65 27.79 35.6 1073.29 -71835 900000 -72380 2631 -23372 -46217 122687 -4208 -25295 -55879 -36028 -36232 -65806 37202 -4967 -24232 -23038 30689 22587 13379 4080 5520 -15105 -1099 -6647 30150 -4182 -7718 -15270 -2768 1073 968 -11092 -1516 17274 -5172 -4486 690 3565 -4051 2015 -3404 -1158 -599 4631 -1803 4944 1711 2681 2132 451 -252 5655 4586 1258 3571 81 2415 772 1613 3334 1646 -1065 1237 -2409 2544 -224 1629 1268 -881 714 492 -1336 1025 -745 2 2043 775 -1355 -859 339 -1260 -1196 -2199 -1256 -1791 -776 -932 -430 -192 286 548 1389 1240 -12 -28 219 -311 -395 -546 -675 180 1361 52 -648 -558 -913 -253 724 462 -671 -7 -110 -248 513 849 1152 491 -217 -1025 -729 125 327 -27 154 366 1220 934 239 789 101 563 377 349 -199 58 77 -298 -758 -472 -307 -149 -4 -2101 900000 -2333 40 -436 -1099 662 -84 -671 -2071 -1186 -1371 -3948 1040 -241 -1572 -1610 1402 1178 788 268 364 -1269 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