File name: Pandora55s1_QueensNY_20210612_L2Fit_fout2c11d20210101p1-8.txt File generation date: 20260625T190846.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c11p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.88 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v11d20210101.txt Level 1 file used: Pandora55s1_QueensNY_20210612_L1_smca1c11d20210101p1-8.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: 20210612 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]: 305.0145 305.1546 305.2946 305.4346 305.5746 305.7145 305.8545 305.9945 306.1344 306.2744 306.4143 306.5542 306.6941 306.8340 306.9739 307.1138 307.2536 307.3935 307.5333 307.6732 307.8130 307.9528 308.0926 308.2324 308.3722 308.5120 308.6517 308.7915 308.9312 309.0710 309.2107 309.3504 309.4901 309.6298 309.7695 309.9091 310.0488 310.1884 310.3281 310.4677 310.6073 310.7469 310.8865 311.0261 311.1657 311.3053 311.4448 311.5844 311.7239 311.8634 312.0029 312.1424 312.2819 312.4214 312.5609 312.7003 312.8398 312.9792 313.1187 313.2581 313.3975 313.5369 313.6763 313.8156 313.9550 314.0944 314.2337 314.3730 314.5124 314.6517 314.7910 314.9303 315.0695 315.2088 315.3481 315.4873 315.6265 315.7658 315.9050 316.0442 316.1834 316.3226 316.4617 316.6009 316.7401 316.8792 317.0183 317.1574 317.2966 317.4357 317.5747 317.7138 317.8529 317.9919 318.1310 318.2700 318.4090 318.5481 318.6871 318.8260 318.9650 319.1040 319.2429 319.3819 319.5208 319.6598 319.7987 319.9376 320.0765 320.2153 320.3542 320.4931 320.6319 320.7708 320.9096 321.0484 321.1872 321.3260 321.4648 321.6036 321.7423 321.8811 322.0198 322.1586 322.2973 322.4360 322.5747 322.7134 322.8520 322.9907 323.1294 323.2680 323.4066 323.5453 323.6839 323.8225 323.9611 324.0996 324.2382 324.3768 324.5153 324.6538 324.7924 324.9309 --------------------------------------------------------------------------------------- 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 20210612T103646.4Z 7833.442204 82 1 50.30 2 78.42 69.29 93.66 52.25 0.00 1 0.00 1 0 25 3.207e-01 8.787e-03 1.076e-01 1.727e-03 6.390307e-01 9.469609e-04 7.249511e-03 -6.000000e+00 1.935971e-01 232.74 -2.00 3.51 -2.00 320.57 0.00e+00 3.337501e-03 3.867810e-04 1.147363e-03 -6.000000e+00 8.651360e-03 286.42 -2.00 20.00 -2.00 319.91 0.00e+00 4.816 0.002 302.00 328.00 3 1.2170e+00 2.9780e-03 5.9686e-02 -6.0000e+00 4.8580e-01 7.6298e-02 3.8392e-03 3.6422e-02 -6.0000e+00 5.2419e-01 -5.9846e-02 3.5581e-03 1.7286e-02 -6.0000e+00 3.1217e-01 1.3848e-02 1.7505e-03 7.3513e-03 -6.0000e+00 1.3065e-01 6.3289e-04 -1.0317e-03 5.0406e-05 6.7608e-05 -6.0000e+00 9.5913e-03 4.0304e-03 2.7946e-05 11 8 0 10 0 0 99.41 22.82 0.21 0.00403 -0.00372 146 28 1 5 0 344.440 25.68 20.00 22.82 24.09 29.1 1083.67 -23751 -79132 900000 -167532 -41939 -63269 -132027 84102 -65084 -60227 -116071 -85509 -104317 -120079 35686 -18891 -57298 78410 32595 8951 12136 -17247 9167 -32024 -7439 -24229 49011 -26850 -23697 -32142 -3701 7586 -4453 -22227 1288 19175 -11223 -1036 7634 7020 -6104 3387 -6841 -1203 13 9744 -995 4741 6577 2728 831 1847 723 4989 6888 2483 3470 879 3286 1075 975 4683 1518 1264 1748 -728 1185 570 2486 1869 -374 -512 642 -1402 640 -458 834 674 937 310 -307 468 -1377 -859 -2177 -1272 -1216 -940 -1028 -248 -330 552 255 1238 1272 659 741 327 -80 -942 -267 -328 477 956 111 -855 -691 -553 -220 91 -104 -553 -428 -84 108 539 843 939 217 -196 -958 -408 142 118 93 55 339 1425 762 -32 244 32 530 326 304 -294 -286 224 -392 -348 -394 -57 27 82 -82 -564 900000 -3115 -231 -413 -1733 154 -576 -561 -1951 -1198 -2088 -3504 309 -330 -1644 712 497 183 251 -481 207 -1124 -226 -918 978 -1082 -923 -1404 -140 306 -234 -1513 73 914 -735 -70 571 631 -707 397 -935 -163 2 1258 -144 672 954 434 145 353 154 1109 1618 636 920 242 883 289 265 1293 473 440 656 -288 455 221 987 827 -187 -275 350 -765 327 -220 366 285 409 150 -171 293 -965 -641 -1732 -1059 -1060 -850 -948 -227 -293 464 204 963 1022 581 725 358 -96 -1190 -336 -395 535 1019 119 -969 -819 -681 -284 124 -154 -871 -698 -138 172 828 1260 1408 337 -316 -1593 -676 230 186 144 83 498 2035 1125 -51 417 59 1000 636 616 -623 -626 498 -884 -784 -871 -121 56 166 SS 20210612T104235.6Z 7833.446245 85 1 50.39 2 77.38 70.16 92.82 53.19 0.00 1 0.00 1 0 25 2.144e-01 7.669e-03 4.804e-02 1.376e-03 5.928828e-01 7.443496e-04 6.775241e-03 -6.000000e+00 1.294019e-01 232.74 -2.00 3.51 -2.00 320.24 0.00e+00 3.224485e-03 2.710706e-04 8.020277e-04 -6.000000e+00 5.713318e-03 286.42 -2.00 20.00 -2.00 319.55 0.00e+00 4.450 0.002 302.00 328.00 3 1.2236e+00 2.2528e-03 5.4990e-02 -6.0000e+00 3.2471e-01 6.0917e-02 2.8001e-03 3.3031e-02 -6.0000e+00 3.5037e-01 -4.4665e-02 2.4648e-03 1.5838e-02 -6.0000e+00 2.0854e-01 8.7250e-03 1.2402e-03 6.4685e-03 -6.0000e+00 8.6988e-02 9.3572e-04 -9.5533e-04 4.0467e-05 6.1361e-05 -6.0000e+00 6.4065e-03 3.8091e-03 2.2542e-05 11 8 0 10 0 0 99.76 22.82 0.23 0.00381 -0.00337 172 33 1 5 0 292.890 25.68 19.98 22.82 24.41 29.1 1085.96 -79594 -45649 26571 -92230 -69172 -48774 -83231 15360 -33094 -46115 -79373 -75734 -55201 -88924 14651 -22284 -25546 -37169 17066 4507 -5908 -5118 -9437 -7275 -9670 -11264 7415 -15050 -15248 -14558 -4860 694 -393 -14711 1880 5625 -4732 -5232 3892 1488 -4028 790 -4318 -2471 -939 5586 -1329 4099 1718 2983 -1076 2165 958 3844 4656 1619 2761 1142 2770 370 1371 2673 2773 5 1019 -1005 1048 394 2615 1282 -228 -174 -125 -257 65 177 581 1063 806 282 195 -20 -1361 -1496 -1532 -1281 -1088 -1032 -770 -660 -142 384 489 1103 1276 928 445 985 -376 -645 -279 -306 345 1143 77 -1024 -703 -731 -229 -88 177 -793 -237 -209 -58 569 802 910 387 -10 -843 -350 -148 68 46 268 254 1473 837 55 210 273 460 317 319 -490 -211 162 -512 -454 -296 38 -93 199 -770 -384 123 -1351 -785 -440 -1085 88 -338 -584 -1462 -1483 -1061 -2901 227 -585 -789 -1412 429 136 -205 -181 -355 -285 -420 -527 302 -753 -758 -742 -251 40 -26 -1231 139 398 -381 -480 391 182 -590 122 -739 -433 -166 951 -245 739 326 587 -235 504 247 1046 1342 501 880 374 892 120 444 896 1017 2 450 -461 465 175 1186 645 -128 -104 -77 -156 37 96 290 508 395 152 120 -14 -1034 -1213 -1303 -1144 -1016 -998 -758 -645 -135 347 418 918 1088 858 456 1107 -463 -835 -360 -378 398 1257 86 -1203 -860 -928 -303 -124 264 -1262 -388 -342 -92 873 1195 1362 598 -16 -1394 -579 -239 108 71 404 373 2113 1233 87 353 484 848 604 627 -1008 -446 348 -1118 -992 -635 80 -186 393 SS 20210612T112828.6Z 7833.478108 107 1 50.32 2 69.05 76.91 85.81 60.31 0.00 1 0.00 1 0 25 1.467e-02 6.296e-03 2.358e-03 4.336e-04 3.791947e-01 2.286115e-04 4.474403e-03 -6.000000e+00 8.860159e-03 232.74 -2.00 3.51 -2.00 318.12 0.00e+00 3.353761e-04 4.170471e-05 1.775758e-04 -6.000000e+00 3.911191e-04 286.42 -2.00 20.00 -2.00 317.31 0.00e+00 2.770 0.000 302.00 328.00 3 9.8644e-01 6.1952e-04 3.4274e-02 -6.0000e+00 2.2233e-02 2.1148e-02 7.0006e-04 2.0058e-02 -6.0000e+00 2.3988e-02 -1.2880e-02 4.4462e-04 9.6662e-03 -6.0000e+00 1.4278e-02 -4.3608e-05 2.2513e-04 2.6627e-03 -6.0000e+00 5.9572e-03 7.7343e-03 -4.3905e-04 1.3231e-05 3.2009e-05 -6.0000e+00 4.3851e-04 3.1359e-03 5.3529e-05 10 0 0 10 0 0 99.98 22.81 0.21 0.00314 -0.00016 548 104 1 5 0 91.800 25.68 20.00 22.81 24.93 29.1 1088.32 -3799 -4417 -2451 -7747 -4057 -4405 -4154 -1902 -2744 -3514 -4332 -2188 -2663 -2607 289 -1433 -1122 -807 1024 679 -150 322 1435 68 -117 -591 -368 -1399 123 839 1014 2052 1386 -1770 -855 158 87 168 712 -767 -1636 -984 -1428 -1126 -730 -176 -860 -446 -443 487 625 508 960 762 912 728 994 370 698 848 1511 1526 1311 534 -522 29 301 804 1621 1024 121 -354 -706 -575 -746 -155 460 775 1453 351 -47 -717 -1454 -1227 -1183 -1107 -805 -581 -503 -568 -130 343 463 1340 1529 1270 807 693 -408 -658 -493 -544 89 835 8 -832 -414 -759 -187 -72 -190 -425 -351 -134 -4 634 953 930 539 -123 -703 -445 -269 -288 177 175 531 1410 1059 378 424 9 270 224 289 -230 -189 147 -442 -457 -256 -223 -211 100 -202 -248 -143 -472 -242 -250 -241 -120 -181 -253 -327 -169 -231 -265 34 -194 -166 -117 155 108 -25 54 242 12 -23 -121 -77 -289 24 160 201 445 336 -441 -228 40 23 47 236 -287 -702 -428 -655 -528 -345 -83 -409 -210 -208 229 307 269 515 438 551 458 642 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