File name: Pandora55s1_QueensNY_20230606_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T114127.9Z 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_20230606_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: 20230606 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 20230606T181116.8Z 8557.757834 460 1 50.68 2 24.30 227.87 158.83 304.38 0.00 1 0.00 1 0 17 1.698e-02 9.107e-03 2.850e-03 1.736e-03 1.850225e-01 9.271593e-04 2.240974e-03 -6.000000e+00 1.025014e-02 232.41 -2.00 3.51 -2.00 315.41 0.00e+00 5.747509e-04 8.674748e-05 1.004243e-04 -6.000000e+00 4.516287e-04 285.85 -2.00 20.00 -2.00 314.73 0.00e+00 1.097 0.000 302.00 328.00 3 5.6531e+00 2.4084e-03 1.4762e-02 -6.0000e+00 2.5705e-02 1.0964e-02 2.6679e-03 9.6929e-03 -6.0000e+00 2.7735e-02 3.5693e-03 1.5207e-03 4.6995e-03 -6.0000e+00 1.6507e-02 -2.8179e-03 6.6721e-04 1.3997e-03 -6.0000e+00 6.8969e-03 5.0282e-04 -1.9695e-04 5.3430e-05 1.9203e-05 -6.0000e+00 5.0731e-04 9.6061e-04 0.0000e+00 11 9 0 11 32 0 99.99 22.68 0.11 0.00096 -0.00052 21 4 1 5 0 2412.990 26.00 19.97 22.68 32.80 35.6 1100.00 -1532 -2720 -5128 -5743 -209 4048 1592 7999 2103 -466 -1484 168 -1488 21 4502 -188 -1681 -6888 4405 3266 1751 1470 2722 -1916 -106 -519 3738 -1182 -1037 112 1016 2579 1375 -2750 -1352 2518 -998 -725 1316 -327 -1886 -780 -2404 -1357 -295 808 -2068 206 58 1041 323 -210 -637 1857 1753 638 1588 728 1244 581 1166 1858 1314 -216 -17 -1274 825 -397 869 818 -640 -32 14 -970 -1445 -579 266 1753 258 -366 -959 204 -1094 -1016 -1787 -1126 -1167 -224 -203 -230 -160 202 271 1172 866 1034 417 445 -71 -557 -219 -327 -1 950 519 -703 -305 -818 163 573 183 -483 185 -144 -273 184 473 950 608 -123 -794 -335 -485 420 10 21 -33 1210 694 72 653 716 45 471 534 -197 124 300 -527 -547 -343 -325 -388 -228 -410 -793 -1564 -1711 -55 962 388 1982 597 -142 -459 51 -480 7 1655 -77 -724 -3157 1887 1445 797 676 1239 -923 -52 -263 1847 -590 -493 51 455 1182 669 -1415 -681 1192 -492 -387 782 -220 -1386 -596 -1897 -1077 -233 632 -1632 157 43 762 239 -160 -507 1504 1459 543 1360 629 1069 497 1001 1628 1207 -210 -17 -1242 753 -348 750 741 -625 -32 14 -1015 -1480 -564 241 1480 215 -314 -882 199 -1135 -1094 -2000 -1306 -1411 -278 -256 -289 -196 237 299 1220 887 1087 464 526 -88 -717 -279 -402 -1 1088 608 -865 -388 -1074 218 785 259 -702 268 -204 -372 238 588 1171 769 -163 -1092 -469 -680 577 14 27 -42 1480 848 91 848 954 61 643 744 -283 184 452 -807 -844 -525 -489 -574 -333 SS 20230606T181644.5Z 8557.761626 463 1 49.57 2 25.08 230.24 159.62 306.74 0.00 1 0.00 1 0 17 1.009e-02 7.032e-03 1.535e-03 1.029e-03 1.872212e-01 5.527611e-04 2.269259e-03 -6.000000e+00 6.090090e-03 232.41 -2.00 3.51 -2.00 315.01 0.00e+00 1.048410e-04 4.768567e-05 4.029697e-05 -6.000000e+00 2.684016e-04 285.86 -2.00 20.00 -2.00 314.36 0.00e+00 1.104 0.000 302.00 328.00 3 4.7042e+00 1.4295e-03 1.4885e-02 -6.0000e+00 1.5272e-02 1.6939e-02 1.5804e-03 9.7556e-03 -6.0000e+00 1.6481e-02 -1.5253e-03 9.0157e-04 4.7499e-03 -6.0000e+00 9.8086e-03 -1.4649e-03 3.9024e-04 1.3075e-03 -6.0000e+00 4.0966e-03 1.2872e-03 -3.8925e-04 3.1518e-05 1.9139e-05 -6.0000e+00 3.0153e-04 3.1117e-03 0.0000e+00 11 9 0 11 8 0 95.54 22.68 0.29 0.00311 0.00019 30 6 1 5 0 1652.020 26.00 19.97 22.68 32.79 35.9 1100.00 -2909 -2355 907 -4365 -925 629 796 3943 1987 -911 -1046 -146 235 156 1854 -346 -1144 -1318 1686 1409 437 1336 1134 -122 362 -53 860 -967 369 848 1504 1825 1221 -1930 -1059 -42 160 -71 581 -228 -1606 -906 -1439 -1203 -1063 -355 -1282 -410 -762 750 349 343 489 1061 823 586 1363 179 925 673 1254 1434 961 99 -570 -568 59 369 1306 1236 -148 4 -442 -635 -347 -153 165 833 1118 113 -306 -615 -1293 -1187 -1182 -997 -951 -407 -597 -520 -175 119 368 1213 1411 1172 772 568 -377 -733 -376 -468 35 878 248 -770 -332 -715 55 41 22 -452 -114 -263 -274 475 694 985 621 -20 -692 -419 -159 176 259 45 355 1236 954 281 612 55 307 231 494 -219 23 142 -470 -550 -401 -321 -335 -60 -917 -792 304 -1480 -285 181 229 1181 655 -321 -371 -51 86 62 784 -158 -544 -639 816 697 221 675 574 -63 194 -30 474 -527 191 420 740 923 649 -1070 -579 -22 85 -41 370 -161 -1228 -720 -1171 -988 -871 -290 -1040 -325 -594 571 269 271 400 890 708 511 1198 159 815 590 1102 1289 900 97 -569 -558 55 329 1150 1137 -146 4 -464 -666 -355 -151 153 724 949 99 -285 -609 -1352 -1281 -1316 -1149 -1138 -500 -746 -648 -213 138 405 1268 1449 1238 857 667 -466 -931 -473 -569 41 1002 290 -940 -417 -924 72 56 31 -642 -161 -365 -366 604 852 1203 777 -26 -934 -576 -218 237 342 58 444 1498 1154 349 783 72 409 310 674 -309 33 209 -703 -825 -598 -472 -483 -85 SS 20230606T182224.1Z 8557.765556 466 1 50.12 2 25.92 232.56 160.41 309.35 0.00 1 0.00 1 0 17 9.391e-03 6.670e-03 1.358e-03 9.059e-04 1.887071e-01 4.861882e-04 2.291467e-03 -6.000000e+00 5.665648e-03 232.41 -2.00 3.51 -2.00 315.04 0.00e+00 -1.235412e-05 4.218441e-05 3.799486e-05 -6.000000e+00 2.497338e-04 285.86 -2.00 20.00 -2.00 314.39 0.00e+00 1.111 0.000 302.00 328.00 3 4.4620e+00 1.2576e-03 1.5002e-02 -6.0000e+00 1.4208e-02 9.7616e-03 1.3905e-03 9.8426e-03 -6.0000e+00 1.5333e-02 -7.7410e-04 7.9343e-04 4.7932e-03 -6.0000e+00 9.1254e-03 -2.2893e-03 3.4372e-04 1.3125e-03 -6.0000e+00 3.8105e-03 1.6280e-03 -5.0414e-04 2.7697e-05 1.9281e-05 -6.0000e+00 2.8058e-04 4.2619e-03 0.0000e+00 11 9 0 11 8 0 76.75 22.68 0.22 0.00426 0.00047 40 8 1 5 0 1252.740 26.00 19.97 22.68 33.24 35.8 1100.00 -1409 -2645 209 -5010 -1144 615 1055 3154 830 77 -1004 1100 20 363 1229 -217 -1143 1560 1203 955 321 552 1343 -180 464 -231 713 -884 129 678 934 1661 929 -1611 -1040 945 -266 198 615 -344 -1556 -813 -1367 -1352 -1123 -652 -1313 -581 -499 371 627 373 563 1117 341 429 1076 392 758 866 1403 1331 1013 309 -682 -678 201 238 1282 1049 89 -182 -559 -565 -172 -431 272 761 1182 167 -235 -513 -1405 -1035 -1071 -789 -769 -413 -481 -412 -154 219 319 1086 1505 976 730 608 -421 -615 -376 -407 10 922 216 -596 -405 -804 -121 144 -15 -493 -308 -199 -208 467 743 837 467 -11 -622 -370 -105 -165 116 89 576 1357 856 301 522 48 290 314 398 -170 -155 68 -446 -531 -193 -250 -273 -89 -435 -883 70 -1688 -351 175 300 947 274 27 -355 381 7 142 519 -99 -539 735 580 471 161 279 676 -93 247 -127 391 -479 67 335 458 838 493 -887 -567 494 -142 113 390 -242 -1185 -642 -1107 -1105 -916 -531 -1059 -459 -386 283 481 294 459 933 293 373 945 347 667 757 1229 1191 947 301 -679 -664 187 212 1128 965 87 -187 -587 -591 -175 -423 250 662 1001 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