File name: Pandora55s1_QueensNY_20230522_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T113518.4Z 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_20230522_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: 20230522 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 20230522T140417.2Z 8542.586310 175 1 49.94 2 40.89 106.95 65.13 74.25 0.00 1 0.00 1 0 17 8.127e-02 3.572e-02 4.418e-03 1.992e-03 2.447975e-01 1.051296e-03 2.899561e-03 -6.000000e+00 4.886456e-02 231.53 -2.00 3.51 -2.00 316.34 0.00e+00 5.081011e-03 1.201548e-04 2.866855e-04 -6.000000e+00 2.147624e-03 284.35 -2.00 20.00 -2.00 315.63 0.00e+00 1.321 0.000 302.00 328.00 3 5.5733e+00 2.7497e-03 1.8759e-02 -6.0000e+00 1.2233e-01 4.6743e-02 3.0579e-03 1.4369e-02 -6.0000e+00 1.3215e-01 -6.1286e-02 1.7520e-03 6.3658e-03 -6.0000e+00 7.8635e-02 2.7649e-02 8.0617e-04 4.1975e-03 -6.0000e+00 3.2838e-02 3.8184e-04 -8.5079e-04 6.1266e-05 3.8580e-05 -6.0000e+00 2.4276e-03 5.3106e-03 0.0000e+00 12 9 8 11 8 0 76.97 22.70 0.43 0.00531 -0.00108 13 2 1 5 0 3841.020 26.00 20.02 22.70 25.27 35.0 1089.92 10046 6981 36008 5234 16498 22397 11607 26584 8070 2998 -2152 -32 -207 6321 14918 9201 4818 -64244 18521 15007 13857 8660 8979 -1315 2653 -1479 7560 -1858 -445 2629 3841 7639 5865 1209 3234 9747 2140 483 2731 1117 -2472 -1039 -3089 -1691 -233 2618 -236 2905 2303 3554 2551 1808 1183 3823 3070 818 1799 -659 -488 -463 593 1955 1115 -194 825 -1368 1689 717 1521 970 -889 -260 -62 -1707 -194 -2243 -303 885 -172 -1465 -875 388 -1247 -1211 -2256 -1319 -2233 -1208 -1304 -847 -757 -579 -19 531 316 391 82 465 -11 -506 655 -61 277 982 346 -627 -741 -962 -145 658 389 -524 222 106 -72 114 592 1557 625 292 -616 -226 809 561 329 -108 270 979 869 278 1221 741 943 380 1035 -378 372 28 -245 -1013 -633 -823 -630 -983 1747 1378 5710 1060 2799 3342 1887 3993 1531 618 -466 -7 -48 1548 3843 2734 1570 -36942 5756 4934 4678 3054 3134 -504 1008 -593 2825 -732 -167 939 1381 2832 2349 520 1359 3768 888 220 1378 637 -1569 -683 -2124 -1170 -161 1780 -163 1940 1520 2311 1689 1249 857 2809 2332 638 1412 -526 -387 -365 468 1578 952 -176 761 -1264 1458 596 1253 844 -837 -256 -62 -1718 -188 -2106 -263 718 -138 -1230 -789 372 -1277 -1290 -2503 -1514 -2679 -1489 -1634 -1056 -922 -674 -21 552 325 415 93 557 -14 -665 850 -77 331 1145 413 -782 -960 -1281 -197 919 564 -782 332 155 -102 153 768 2001 827 402 -883 -329 1167 797 458 -147 355 1248 1108 366 1663 1044 1348 553 1528 -580 584 45 -398 -1662 -1026 -1314 -982 -1519 SS 20230522T140942.9Z 8542.590080 178 1 49.15 2 39.91 108.20 64.17 74.98 0.00 1 0.00 1 0 17 7.325e-02 3.396e-02 4.046e-03 1.915e-03 2.402126e-01 1.011203e-03 2.857947e-03 -6.000000e+00 4.399644e-02 231.53 -2.00 3.51 -2.00 316.22 0.00e+00 4.456640e-03 1.125092e-04 2.491083e-04 -6.000000e+00 1.935568e-03 284.35 -2.00 20.00 -2.00 315.51 0.00e+00 1.302 0.000 302.00 328.00 3 5.5230e+00 2.6411e-03 1.8406e-02 -6.0000e+00 1.1014e-01 4.3634e-02 2.9360e-03 1.3772e-02 -6.0000e+00 1.1903e-01 -5.4811e-02 1.6797e-03 6.2058e-03 -6.0000e+00 7.0823e-02 2.4613e-02 7.6821e-04 3.7062e-03 -6.0000e+00 2.9536e-02 4.1350e-04 -2.0082e-03 5.8766e-05 3.4606e-05 -6.0000e+00 2.1892e-03 1.3384e-02 0.0000e+00 12 8 8 10 0 0 98.63 22.70 0.18 0.01338 -0.00171 13 2 1 5 0 3780.330 26.00 20.02 22.70 25.35 35.0 1090.48 6886 6878 31408 6528 14781 18950 10179 19069 7426 3356 -1158 -88 823 5604 13054 6391 4751 -61473 15616 11778 12788 9282 7062 -905 2015 -777 6026 -1296 -465 1203 3373 7467 5994 1054 3178 8748 2384 638 2131 352 -2518 -225 -3313 -1626 -772 2201 -568 3010 1545 3743 2358 1537 567 3337 2274 944 1935 -854 -466 -448 499 2120 1189 -537 747 -1095 1707 315 1900 723 -657 -68 -373 -1491 -127 -1447 -335 1236 -76 -640 -823 118 -1455 -1138 -2157 -1094 -1652 -1005 -1442 -858 -525 -726 -417 406 402 531 -88 640 53 -714 325 205 -15 1586 464 -774 -452 -1341 131 891 275 -686 120 76 -89 569 575 1354 304 265 -471 -405 545 964 75 -116 171 657 595 172 1089 645 631 572 789 74 311 15 23 -951 -512 -1021 -542 -818 1289 1419 5421 1365 2661 3054 1756 3204 1492 725 -261 -20 196 1444 3555 2017 1603 -35404 5138 4100 4489 3360 2591 -357 796 -321 2368 -526 -181 450 1258 2847 2466 466 1370 3489 1012 297 1105 207 -1631 -150 -2325 -1147 -546 1530 -401 2044 1042 2473 1587 1077 417 2494 1755 745 1536 -693 -374 -358 399 1727 1026 -491 694 -1019 1486 265 1573 635 -622 -67 -377 -1507 -124 -1361 -293 1012 -62 -539 -745 113 -1497 -1214 -2394 -1256 -1980 -1238 -1809 -1070 -639 -847 -459 423 413 565 -99 767 67 -938 422 257 -18 1838 551 -964 -582 -1787 177 1239 397 -1022 178 112 -125 762 743 1734 402 363 -670 -586 782 1362 104 -157 224 836 756 225 1476 902 897 822 1159 112 484 23 37 -1547 -824 -1618 -839 -1254 SS 20230522T141517.5Z 8542.593953 181 1 51.27 2 38.91 109.53 63.18 75.72 0.00 1 0.00 1 0 17 2.099e-02 8.625e-03 3.344e-03 1.675e-03 2.286383e-01 8.875754e-04 2.743781e-03 -6.000000e+00 1.262379e-02 231.53 -2.00 3.51 -2.00 316.12 0.00e+00 1.022757e-04 9.596111e-05 7.324982e-05 -6.000000e+00 5.547713e-04 284.35 -2.00 20.00 -2.00 315.40 0.00e+00 1.284 0.000 302.00 328.00 3 5.3836e+00 2.3169e-03 1.7667e-02 -6.0000e+00 3.1604e-02 -1.2208e-02 2.5770e-03 1.1850e-02 -6.0000e+00 3.4139e-02 -1.3414e-03 1.4794e-03 5.7754e-03 -6.0000e+00 2.0314e-02 -2.1390e-04 6.6921e-04 1.5920e-03 -6.0000e+00 8.4844e-03 5.0901e-04 -5.0311e-04 5.1487e-05 2.1485e-05 -6.0000e+00 6.2705e-04 4.5490e-03 0.0000e+00 11 9 0 11 32 0 91.32 22.69 0.19 0.00455 0.00077 17 3 1 5 0 3015.080 26.00 20.01 22.69 25.55 35.0 1091.63 -6763 -8544 8583 -10059 -1272 3306 -716 6848 1699 -1316 -4608 -3239 -3507 -1053 5437 155 -3033 3690 891 2393 3460 647 1068 2409 203 -390 4012 -1580 -1127 -1251 475 2130 360 -3206 -1479 2949 -1649 -1366 893 313 -1909 182 -2086 -1038 -629 -660 -1735 615 -440 1288 172 -60 -40 1760 1700 634 1815 785 1587 914 1104 1780 1300 -458 51 -1641 435 5 1204 841 -703 -201 -226 -985 311 -474 430 1279 632 -520 -941 -261 -1276 -1182 -1811 -631 -1180 -87 -629 -354 -123 -295 129 976 798 1041 259 683 -357 -572 -439 -534 -4 1120 402 -413 -264 -819 241 583 302 -592 22 -179 -410 503 516 1059 65 -14 -918 -368 396 513 109 139 102 636 1027 51 991 51 395 344 467 -188 103 241 -394 -713 -363 -213 -480 -268 -1365 -1908 1710 -2284 -249 584 -132 1282 365 -307 -1121 -783 -900 -292 1581 51 -1072 1271 322 879 1287 247 410 937 84 -167 1675 -671 -457 -488 184 850 154 -1459 -660 1236 -726 -654 476 188 -1266 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