File name: Pandora55s1_QueensNY_20230713_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T115106.4Z 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 v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20230713_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: 20230713 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 --------------------------------------------------------------------------------------- SU 20230713T173131.2Z 8594.730222 43 1 50.34 2 20.02 201.04 51.17 269.14 0.00 1 0.00 1 0 25 8.534e-03 6.750e-03 9.568e-04 7.132e-04 1.535587e-01 3.858995e-04 1.866629e-03 -6.000000e+00 5.163600e-03 232.89 -2.00 3.51 -2.00 314.46 0.00e+00 4.795728e-05 3.041921e-05 2.805633e-05 -6.000000e+00 2.304011e-04 289.38 -2.00 20.00 -2.00 313.83 0.00e+00 1.064 0.000 302.00 328.00 3 4.1288e+00 9.9439e-04 1.3423e-02 -6.0000e+00 1.2949e-02 -3.7711e-03 1.0953e-03 8.0380e-03 -6.0000e+00 1.3954e-02 2.7131e-03 6.2662e-04 3.9014e-03 -6.0000e+00 8.3202e-03 -2.1456e-03 2.6783e-04 1.0703e-03 -6.0000e+00 3.4891e-03 2.5791e-03 -4.1077e-04 2.1778e-05 1.6282e-05 -6.0000e+00 2.5497e-04 -4.2512e-03 0.0000e+00 11 8 0 10 0 0 99.69 22.70 0.19 -0.00425 -0.00734 60 11 1 5 0 838.920 26.00 19.99 22.70 36.70 36.5 1100.00 -755 -1839 -1384 -3630 -1437 649 1140 2366 1093 -392 -418 719 703 -124 1110 -451 -516 1028 1113 682 311 674 1214 614 324 185 -61 -789 -126 1153 1034 1403 1591 -1456 -839 651 -9 273 655 -352 -1369 -1000 -1440 -1289 -1037 -801 -1324 -843 -867 381 575 468 504 965 642 534 953 375 588 852 1397 1387 1207 394 -565 -608 -64 162 1358 975 162 -215 -413 -398 -576 -194 299 574 1235 159 -123 -619 -1496 -1098 -1095 -894 -795 -520 -412 -543 -172 104 300 938 1298 1072 790 658 -305 -531 -366 -467 36 1067 266 -700 -281 -750 -217 18 -89 -326 -335 -113 -138 466 728 841 649 11 -598 -365 -88 -139 266 164 376 1363 999 433 480 -92 247 204 344 -297 -192 56 -399 -513 -211 -272 -303 -11 -289 -756 -576 -1498 -547 229 401 872 437 -165 -177 300 303 -57 543 -236 -277 555 609 380 176 384 688 355 193 113 -38 -477 -73 633 562 779 915 -870 -495 369 -5 168 443 -264 -1101 -837 -1229 -1111 -892 -686 -1128 -702 -707 304 459 382 425 833 568 478 861 341 533 766 1259 1276 1155 391 -573 -607 -60 147 1208 904 159 -222 -436 -419 -596 -193 280 507 1060 140 -115 -611 -1558 -1178 -1210 -1022 -943 -634 -510 -672 -209 121 330 981 1324 1120 864 758 -370 -660 -453 -561 41 1201 307 -842 -349 -956 -282 23 -121 -453 -466 -154 -181 581 873 1002 790 14 -788 -491 -118 -184 345 208 462 1625 1184 526 600 -118 320 267 456 -406 -269 81 -578 -749 -306 -391 -427 -16 SU 20230713T174145.3Z 8594.737330 46 1 50.24 2 20.81 207.46 53.05 270.78 0.00 1 0.00 1 0 25 9.447e-03 6.788e-03 1.610e-03 1.118e-03 1.560090e-01 6.021266e-04 1.893018e-03 -6.000000e+00 5.715534e-03 232.89 -2.00 3.51 -2.00 314.84 0.00e+00 -2.883680e-05 5.084097e-05 3.115820e-05 -6.000000e+00 2.550427e-04 289.38 -2.00 20.00 -2.00 314.16 0.00e+00 1.070 0.000 302.00 328.00 3 4.8896e+00 1.5571e-03 1.3552e-02 -6.0000e+00 1.4333e-02 6.2998e-03 1.7183e-03 8.1716e-03 -6.0000e+00 1.5446e-02 4.0173e-03 9.8088e-04 3.9637e-03 -6.0000e+00 9.2099e-03 -3.1988e-03 4.2320e-04 1.0828e-03 -6.0000e+00 3.8615e-03 1.1876e-03 -4.0866e-04 3.4300e-05 1.6117e-05 -6.0000e+00 2.8226e-04 -3.3937e-03 0.0000e+00 11 8 0 10 0 0 99.86 22.68 0.17 -0.00339 -0.00646 60 11 1 5 0 837.170 26.00 19.99 22.68 36.91 36.5 1100.00 -1391 -2408 -214 -4108 -1584 1075 119 3591 915 -461 -1065 454 546 -1329 2072 -474 -956 1476 1293 1221 748 922 918 -208 185 91 732 -497 86 904 1058 1557 1531 -1755 -1025 975 -134 33 879 -339 -1449 -859 -1595 -1304 -1085 -429 -1409 -506 -687 482 243 139 46 1271 872 522 1216 536 790 755 1511 1542 1151 86 -287 -1017 59 -96 1059 980 -104 -29 -220 -594 -168 -258 -41 877 973 -273 -118 -265 -1446 -1277 -1110 -883 -754 -371 -473 -362 -50 -192 234 1189 1289 1059 498 791 -81 -317 -430 -439 2 950 157 -704 -326 -760 -108 132 82 -389 -186 -199 -346 434 785 804 443 55 -721 -204 -87 110 164 56 305 1270 921 358 540 38 333 109 311 -498 -59 195 -318 -546 -322 -242 -272 19 -469 -875 -78 -1501 -526 328 37 1142 323 -173 -403 169 209 -555 915 -227 -474 730 650 627 392 485 483 -112 103 52 419 -280 46 459 529 797 819 -983 -564 513 -72 19 564 -244 -1135 -699 -1332 -1099 -913 -359 -1171 -410 -543 372 189 111 38 1071 756 459 1080 480 704 667 1337 1397 1090 86 -290 -1014 55 -86 928 898 -102 -29 -232 -626 -173 -255 -38 759 816 -236 -109 -259 -1502 -1373 -1230 -1017 -903 -459 -595 -454 -62 -226 259 1238 1310 1103 548 918 -99 -400 -540 -532 3 1074 182 -855 -410 -981 -142 178 114 -553 -265 -276 -461 547 951 967 546 70 -968 -278 -119 149 216 72 379 1524 1100 438 682 49 438 144 420 -693 -84 284 -470 -815 -478 -353 -390 27 SU 20230713T174746.2Z 8594.741507 50 1 50.17 2 21.37 211.02 54.15 271.72 0.00 1 0.00 1 0 17 8.600e-03 6.805e-03 9.195e-04 6.736e-04 1.561599e-01 3.638734e-04 1.903283e-03 -6.000000e+00 5.202751e-03 232.89 -2.00 3.51 -2.00 314.56 0.00e+00 1.167929e-04 2.921355e-05 3.305591e-05 -6.000000e+00 2.321718e-04 289.38 -2.00 20.00 -2.00 313.92 0.00e+00 1.074 0.000 302.00 328.00 3 3.9809e+00 9.3846e-04 1.3593e-02 -6.0000e+00 1.3047e-02 -1.9989e-03 1.0342e-03 8.1906e-03 -6.0000e+00 1.4061e-02 1.5871e-03 5.9125e-04 3.9762e-03 -6.0000e+00 8.3838e-03 -2.1210e-03 2.5329e-04 1.0964e-03 -6.0000e+00 3.5147e-03 2.9439e-03 -4.5453e-04 2.0602e-05 1.6581e-05 -6.0000e+00 2.5696e-04 -2.6702e-03 0.0000e+00 11 8 0 10 0 0 99.98 22.67 0.23 -0.00267 -0.00609 86 16 1 5 0 583.240 26.00 19.99 22.67 36.52 36.7 1100.00 -802 -1540 -1578 -3341 -1543 614 1119 2221 1415 -182 -415 931 1025 -254 1058 -308 -693 -311 842 906 169 914 1268 637 483 28 -140 -849 -69 1272 1587 1570 1470 -1286 -922 849 326 388 427 -445 -1356 -975 -1498 -1417 -1063 -742 -1401 -862 -776 351 507 491 514 1015 766 531 999 382 701 761 1436 1257 1105 399 -580 -582 93 367 1338 905 188 -204 -542 -452 -661 -369 151 677 1286 296 -71 -580 -1481 -1074 -962 -929 -745 -423 -400 -536 -253 4 298 1154 1404 1166 638 680 -234 -520 -364 -378 112 871 194 -776 -345 -841 -192 10 9 -445 -273 -193 -202 391 835 782 550 43 -607 -377 -180 -85 333 225 470 1413 1071 407 523 -1 229 139 317 -291 -174 136 -376 -574 -304 -300 -246 -9 -297 -612 -638 -1332 -569 209 380 792 548 -74 -170 376 427 -114 506 -157 -365 -166 452 496 94 510 706 361 283 17 -84 -504 -39 685 844 854 830 -757 -535 474 184 234 285 -329 -1082 -809 -1272 -1213 -907 -632 -1186 -714 -628 278 402 398 430 872 672 472 897 346 630 680 1287 1151 1053 395 -588 -581 88 332 1185 838 185 -210 -571 -477 -682 -367 141 596 1098 260 -66 -573 -1540 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