File name: Pandora55s1_QueensNY_20250406_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20250407T050319.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 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_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20250406_L1_smca1c18d20230426p1-8.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: 20250406 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 20250406T195944.9Z 9227.833158 477 1 16.71 2 52.85 242.80 62.09 84.70 0.00 1 0.00 1 0 17 1.629e-02 7.748e-03 4.676e-03 2.443e-03 2.282252e-01 1.281768e-03 2.768354e-03 -6.000000e+00 9.679884e-03 227.92 -2.00 3.51 -2.00 315.94 0.00e+00 -4.678999e-05 1.329450e-04 3.841989e-05 -6.000000e+00 4.220423e-04 279.44 -2.00 20.00 -2.00 315.33 0.00e+00 1.652 0.000 302.00 328.00 3 4.5911e+00 3.3153e-03 2.0261e-02 -6.0000e+00 2.4064e-02 2.3832e-02 3.6923e-03 1.1696e-02 -6.0000e+00 2.6071e-02 2.2449e-03 2.1228e-03 5.7542e-03 -6.0000e+00 1.5515e-02 -2.8418e-03 9.6196e-04 1.6128e-03 -6.0000e+00 6.5088e-03 7.8396e-04 -2.7305e-04 7.4828e-05 2.2079e-05 -6.0000e+00 4.8597e-04 -6.5167e-03 0.0000e+00 12 9 1 12 33 1 99.96 21.83 0.40 -0.00652 -0.00857 7 5 1 5 0 2087.010 26.32 20.00 21.83 22.12 37.8 1097.82 -2340 -4745 7420 -9055 1574 639 -898 5606 2711 -1093 -3044 -956 -2678 831 3061 -109 -2761 -2695 2030 2963 -2200 622 2108 -1345 1169 -316 2961 -1398 432 -611 245 1375 2004 -1680 -11 909 -1491 -50 1181 377 -2053 289 -1769 -1678 -1004 654 -2082 418 -236 965 519 27 567 1299 1325 44 1913 424 1337 372 1061 1846 767 22 322 -228 -121 54 601 1205 -186 -242 213 -748 249 -1057 421 577 1138 -712 -119 -657 -1430 -1368 -1286 -790 -1283 -604 -831 -150 -666 199 -93 880 1305 1260 319 500 -196 -572 -90 -225 -171 926 272 -216 -247 -822 29 413 -152 -377 -440 75 -324 279 424 818 572 -99 -926 -52 335 296 367 322 183 891 1066 81 640 108 291 381 139 -11 174 348 -278 -507 -839 -281 -513 -100 -480 -1087 1584 -2166 321 124 -177 1124 612 -270 -775 -241 -719 238 951 -38 -1018 -1022 761 1132 -890 249 836 -561 499 -141 1303 -620 181 -249 99 575 883 -786 -5 403 -682 -24 643 232 -1387 202 -1285 -1234 -738 476 -1528 297 -166 667 362 19 427 1006 1054 36 1571 353 1103 306 874 1549 677 21 304 -214 -109 46 511 1069 -177 -242 217 -765 247 -1015 377 487 936 -610 -108 -640 -1478 -1470 -1424 -907 -1536 -743 -1041 -186 -815 232 -103 924 1346 1338 359 597 -247 -744 -116 -281 -205 1077 322 -267 -316 -1083 40 569 -218 -553 -649 109 -452 370 544 1039 743 -134 -1303 -74 477 415 503 430 238 1123 1338 105 857 149 408 540 202 -17 267 543 -440 -808 -1329 -437 -783 -151 SS 20250406T200451.4Z 9227.836706 480 1 50.78 2 53.71 243.96 61.16 85.47 0.00 1 0.00 1 0 25 1.362e-02 6.772e-03 2.500e-03 1.234e-03 2.312573e-01 6.462297e-04 2.810708e-03 -6.000000e+00 8.093746e-03 227.92 -2.00 3.51 -2.00 316.13 0.00e+00 -1.312650e-04 6.983620e-05 4.601942e-05 -6.000000e+00 3.528788e-04 279.44 -2.00 20.00 -2.00 315.50 0.00e+00 1.685 0.000 302.00 328.00 3 4.4019e+00 1.6755e-03 2.0637e-02 -6.0000e+00 2.0121e-02 2.0115e-02 1.8676e-03 1.1881e-02 -6.0000e+00 2.1799e-02 3.9387e-03 1.0770e-03 5.8438e-03 -6.0000e+00 1.2972e-02 -4.1691e-03 4.9219e-04 1.6378e-03 -6.0000e+00 5.4425e-03 9.1366e-04 -2.6532e-04 3.7855e-05 2.2272e-05 -6.0000e+00 4.0633e-04 -6.8120e-03 0.0000e+00 11 8 0 10 0 0 99.98 21.83 0.23 -0.00681 -0.00881 43 8 1 5 0 1180.700 26.32 20.00 21.83 22.61 37.9 1099.79 -2465 -4648 3031 -7750 -2318 1037 -1178 4674 1173 -1528 -1678 -776 -1436 -78 2452 -1044 -2083 4845 1857 1573 -1392 825 1173 -815 391 -243 2147 -932 -743 -2 1135 2218 1579 -1331 -891 1494 -728 -1015 623 96 -1321 -456 -1855 -1175 -1179 179 -1428 -198 -462 563 427 154 187 1793 972 571 1624 651 1033 458 1107 1583 1019 -159 -391 -732 -124 -275 1220 914 100 16 -208 -573 -251 -241 478 735 1125 -183 -247 -372 -1787 -1142 -1243 -897 -878 -576 -427 -304 -123 -40 34 1116 1141 1194 449 671 -232 -466 -389 -522 1 673 270 -610 -234 -542 18 218 22 -439 -45 -110 -274 241 515 813 460 -35 -720 -231 118 147 167 192 151 1166 777 165 696 12 377 172 441 -246 2 131 -330 -578 -334 -280 -252 -119 -465 -977 618 -1690 -451 183 -214 872 248 -350 -392 -181 -356 -21 715 -341 -721 1632 658 575 -530 313 445 -322 159 -103 904 -393 -299 -1 434 878 665 -594 -394 630 -316 -480 330 57 -864 -312 -1316 -842 -848 127 -1017 -138 -317 380 291 109 138 1359 764 456 1315 532 841 371 896 1309 884 -146 -368 -683 -110 -234 1021 803 94 16 -211 -582 -249 -229 423 613 915 -155 -223 -360 -1844 -1221 -1374 -1028 -1048 -708 -533 -379 -150 -47 38 1169 1175 1266 504 801 -293 -607 -504 -656 1 784 320 -758 -300 -715 24 303 31 -649 -66 -161 -384 322 664 1039 602 -47 -1020 -332 169 209 232 259 198 1478 983 215 939 16 534 247 643 -372 3 207 -529 -934 -534 -441 -388 -181 SS 20250406T201810.1Z 9227.845950 486 1 20.01 2 56.00 246.87 58.72 87.52 0.00 1 0.00 1 0 25 8.937e-03 6.275e-03 1.974e-03 9.498e-04 2.455547e-01 4.972111e-04 2.988832e-03 -6.000000e+00 5.310541e-03 227.92 -2.00 3.51 -2.00 316.21 0.00e+00 8.286331e-05 5.467427e-05 5.725019e-05 -6.000000e+00 2.315340e-04 279.44 -2.00 20.00 -2.00 315.58 0.00e+00 1.783 0.000 302.00 328.00 3 2.8683e+00 1.2901e-03 2.1868e-02 -6.0000e+00 1.3202e-02 1.7228e-02 1.4383e-03 1.2632e-02 -6.0000e+00 1.4303e-02 -1.6457e-04 8.3038e-04 6.2129e-03 -6.0000e+00 8.5115e-03 -2.6453e-03 3.8128e-04 1.7448e-03 -6.0000e+00 3.5710e-03 3.7602e-03 -3.0136e-04 2.9095e-05 2.3707e-05 -6.0000e+00 2.6660e-04 -6.8264e-03 0.0000e+00 12 1 1 12 1 1 99.99 21.83 0.17 -0.00683 -0.00909 75 36 1 5 0 263.150 26.32 20.00 21.83 22.14 37.6 1094.33 -831 -2730 -590 -4652 -918 -1026 602 1655 1003 -527 -1677 1078 -50 1227 382 -7 -809 -961 680 1020 -565 1144 679 507 704 125 427 -867 102 662 1433 1260 1633 -687 -529 677 -165 200 492 -69 -1716 -754 -1453 -1036 -1036 -511 -1198 -1042 -635 401 583 442 913 917 958 701 1113 294 711 632 1429 1475 1108 491 -549 -364 -132 140 1200 1173 145 -242 -411 -510 -642 -167 195 355 1224 192 105 -608 -1546 -1256 -1118 -1117 -945 -477 -504 -408 -117 270 205 1347 1413 1208 830 740 -297 -554 -306 -528 -72 705 236 -828 -270 -708 31 -48 -98 -278 -143 -39 -162 361 625 704 729 -54 -525 -407 -143 -311 205 175 348 1201 968 274 578 -55 276 198 219 -242 -174 166 -385 -486 -182 -120 -309 -27 -148 -542 -119 -954 -170 -179 104 307 205 -116 -379 240 -12 318 110 -2 -270 -332 238 367 -209 424 253 194 280 52 178 -359 40 250 540 499 683 -303 -232 287 -71 93 258 -40 -1106 -508 -1010 -729 -730 -360 -840 -721 -432 269 394 310 665 692 746 555 893 239 574 508 1143 1210 952 442 -511 -335 -116 119 1001 1028 137 -239 -415 -515 -634 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