File name: Pandora55s1_QueensNY_20240326_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240405T184011.6Z 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 v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240326_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: 20240326 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 20240326T114149.4Z 8851.487378 240 1 14.08 2 80.61 94.82 94.78 262.92 0.00 1 0.00 1 0 25 6.658e-01 3.194e-02 3.109e-01 1.184e-02 7.233302e-01 6.812276e-03 8.230143e-03 -6.000000e+00 4.093321e-01 227.11 -2.00 3.51 -2.00 321.30 0.00e+00 1.218067e-02 3.312676e-03 1.419022e-03 -6.000000e+00 1.970493e-02 278.34 -2.00 20.00 -2.00 320.81 0.00e+00 5.832 0.004 302.00 328.00 3 2.2629e+00 2.2880e-02 6.9916e-02 -6.0000e+00 1.0261e+00 3.6164e-01 3.0652e-02 4.1129e-02 -6.0000e+00 1.1234e+00 -5.1222e-01 2.9901e-02 2.4724e-02 -6.0000e+00 6.5404e-01 2.2528e-01 1.4152e-02 1.7365e-02 -6.0000e+00 2.7107e-01 7.5512e-05 -8.1756e-04 3.5500e-04 2.1988e-04 -6.0000e+00 2.1102e-02 1.8356e-02 0.0000e+00 12 9 9 12 37 1 99.26 22.55 0.20 0.01836 0.01221 5 4 1 5 0 2339.340 25.90 20.00 22.55 10.30 35.2 1033.96 -162822 900000 -175606 900000 -226600 900000 900000 900000 111181 900000 -159934 110111 -100648 900000 900000 -146651 -66350 900000 900000 900000 900000 -102633 2879 107281 -15725 1573 -34172 158454 -52351 59202 77816 42034 75400 50685 900000 -18666 1346 207040 234928 -7960 146378 -14035 7631 12839 312176 -6136 128555 92323 91615 41946 20468 7819 68362 83745 37533 65001 -3244 57184 13222 18105 40414 7654 -7275 16671 -12093 19261 11048 6429 16654 5870 18090 12951 -10086 23090 776 13821 -11050 5680 -6697 100 8710 4042 -1103 -4176 -2963 -7700 -3635 -6912 1886 -5063 364 1267 1246 -7308 -2516 -4057 108 -2485 277 -1261 -1640 1734 4024 1480 1921 -238 -1271 380 2291 1968 -4721 -1558 194 -1823 -1643 -55 3748 257 1464 -1063 -108 139 4810 1609 446 1410 40 596 -1815 1775 -1042 1530 166 947 607 280 1072 -400 -1640 -649 -8 -555 -1080 -3478 900000 -4627 900000 -8310 900000 900000 900000 1280 900000 -3944 1268 -2284 900000 900000 -9315 -2237 900000 900000 900000 900000 -5528 59 1235 -405 35 -1043 1824 -2027 938 1257 1120 1629 1404 900000 -967 64 2384 2705 -629 3035 -1355 631 1040 3594 -630 3966 4161 4426 3452 2268 1074 5791 6556 4686 6453 -606 6020 2049 2698 5180 1483 -1826 3697 -3659 4350 2707 1722 4511 1952 5790 4443 -4165 6638 252 3644 -3535 1635 -2451 40 3744 2029 -626 -2580 -1910 -5458 -2594 -5181 1301 -3593 235 770 745 -4932 -1822 -3401 99 -2606 305 -1409 -1747 1660 3542 1334 1803 -239 -1355 426 2745 2594 -7119 -2408 299 -2800 -2439 -79 5250 382 2249 -1704 -172 214 6941 2326 633 1933 55 841 -2835 2976 -1925 2925 334 1983 1329 640 2479 -940 -3880 -1493 -18 -1168 -2224 SS 20240326T115130.9Z 8851.494108 245 1 50.60 2 78.78 96.43 96.58 264.42 0.00 1 0.00 1 0 25 4.414e-01 9.752e-03 1.411e-01 2.161e-03 6.655244e-01 1.178685e-03 7.478966e-03 -6.000000e+00 2.630375e-01 227.11 -2.00 3.51 -2.00 320.79 0.00e+00 3.599965e-03 5.011883e-04 1.458275e-03 -6.000000e+00 1.157104e-02 278.35 -2.00 20.00 -2.00 320.27 0.00e+00 4.962 0.002 302.00 328.00 3 1.3259e+00 3.6952e-03 6.1357e-02 -6.0000e+00 6.5357e-01 8.7218e-02 4.8910e-03 3.8029e-02 -6.0000e+00 7.1010e-01 -6.1479e-02 4.9275e-03 1.8400e-02 -6.0000e+00 4.2042e-01 1.6990e-02 2.4092e-03 7.6991e-03 -6.0000e+00 1.7712e-01 4.8541e-04 -5.8714e-04 6.3274e-05 7.5825e-05 -6.0000e+00 1.3485e-02 2.4255e-02 0.0000e+00 12 9 8 11 4 0 99.99 22.55 0.19 0.02425 0.01984 168 32 1 5 0 301.130 25.90 19.99 22.55 10.60 35.4 1036.24 -170600 900000 -179240 -139494 48958 -141141 900000 -113744 -67925 -156187 -93155 -110239 -107257 203027 -35552 -46789 -25502 133099 3083 56622 -21924 5806 -60495 -16510 -24299 75841 -11541 -28855 -35497 -21142 21702 -22463 -1586 -8459 42745 -10900 -14459 6164 4046 -4183 1349 -4543 -4775 4962 11237 -3881 6120 6887 6266 305 4579 -1560 11489 5490 4657 3284 4219 3086 524 1294 7666 3515 -2807 3104 -2638 3854 -55 2303 1440 974 134 619 -2129 1436 -474 598 3495 563 1259 -1629 2006 -1366 -992 -1851 -814 -1859 -973 -959 -746 423 -304 1326 943 1113 321 25 165 -563 -336 -431 -223 277 1446 -488 -534 -929 -800 -86 322 -75 -1116 -262 -252 -66 483 1074 993 410 -497 -688 -307 251 540 -233 -29 313 1473 543 209 466 356 377 308 233 -549 112 90 -400 -532 -143 -360 289 -41 -2224 900000 -2883 -1502 103 -1565 900000 -1235 -529 -2969 -1105 -1858 -2231 428 -589 -996 -501 655 55 642 -524 111 -2244 -446 -751 975 -331 -971 -1326 -781 647 -1171 -76 -443 1396 -603 -936 395 314 -401 136 -514 -566 551 1212 -490 731 851 830 46 738 -295 2099 1138 1021 759 984 721 123 305 1794 942 -892 1019 -944 1290 -19 827 578 435 65 306 -1058 656 -204 236 1292 222 552 -847 1146 -892 -693 -1377 -634 -1535 -828 -830 -640 348 -240 980 688 844 269 24 175 -659 -415 -532 -261 300 1474 -507 -580 -1062 -954 -107 432 -109 -1756 -426 -410 -105 740 1596 1484 634 -801 -1137 -505 401 840 -356 -44 450 2070 793 330 799 650 723 613 483 -1190 250 204 -921 -1227 -322 -783 600 -83 SS 20240326T115649.6Z 8851.497797 248 1 50.49 2 77.78 97.32 97.56 265.24 0.00 1 0.00 1 0 25 2.305e-01 6.300e-03 5.239e-02 1.044e-03 6.214001e-01 5.573439e-04 7.036429e-03 -6.000000e+00 1.364038e-01 227.11 -2.00 3.51 -2.00 320.35 0.00e+00 2.585600e-03 2.073386e-04 8.654680e-04 -6.000000e+00 5.960678e-03 278.35 -2.00 20.00 -2.00 319.79 0.00e+00 4.586 0.002 302.00 328.00 3 4.6113e-01 1.6653e-03 5.6313e-02 -6.0000e+00 3.3856e-01 6.5754e-02 2.0997e-03 3.3718e-02 -6.0000e+00 3.6752e-01 -3.5951e-02 2.0057e-03 1.6711e-02 -6.0000e+00 2.1850e-01 4.3772e-03 1.0100e-03 6.4088e-03 -6.0000e+00 9.2039e-02 1.7327e-03 -6.5450e-05 3.0319e-05 6.5357e-05 -6.0000e+00 6.9233e-03 2.1854e-02 0.0000e+00 11 1 0 11 4 0 99.97 22.55 0.14 0.02185 0.02136 374 71 1 5 0 134.950 25.90 20.00 22.55 10.94 35.5 1038.36 -106851 89801 -109908 -33810 -95167 -59300 -55802 -52060 -65928 -72761 -56498 -58005 -32931 -21716 -13849 -32111 -6820 993 2661 -13420 -4456 -11462 -19671 -8911 -12985 10486 -17881 -4739 -20687 -2755 -3271 -2945 -6638 -2073 6848 -5157 -2157 -657 2549 -3298 899 -4073 -940 -2304 3186 -1084 1034 1374 1615 1683 967 2038 2543 3315 1209 1833 -232 1120 482 1501 2513 1584 1313 683 905 1041 1160 1184 1533 224 199 -309 -1025 144 -560 916 600 1314 -338 -287 -548 -1376 -1236 -1447 -1192 -1164 -537 -686 -294 -44 808 698 1568 1085 1008 522 605 -295 -411 -317 -309 473 761 -140 -1004 -445 -700 -133 85 -151 -550 -237 -116 -146 603 875 973 391 -344 -744 -303 -25 -179 149 -211 355 1188 823 80 373 -39 296 190 106 -340 -190 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