File name: Pandora55s1_QueensNY_20240917_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240918T045621.9Z 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_20240917_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: 20240917 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 20240917T140341.4Z 9026.585895 326 1 50.53 2 53.90 124.99 134.18 307.74 0.00 1 0.00 1 0 17 1.101e-02 6.428e-03 2.750e-03 1.021e-03 2.244967e-01 5.307629e-04 2.736959e-03 -6.000000e+00 6.562692e-03 228.92 -2.00 3.51 -2.00 317.05 0.00e+00 -2.738717e-04 7.264601e-05 6.419207e-05 -6.000000e+00 2.949366e-04 287.61 -2.00 20.00 -2.00 316.23 0.00e+00 1.693 0.000 302.00 328.00 3 3.4844e+00 1.3988e-03 2.0574e-02 -6.0000e+00 1.6307e-02 4.3324e-03 1.5697e-03 1.1711e-02 -6.0000e+00 1.7633e-02 1.6318e-02 9.1879e-04 5.7272e-03 -6.0000e+00 1.0537e-02 -1.0743e-02 4.3725e-04 1.5933e-03 -6.0000e+00 4.4446e-03 2.3119e-03 -2.7762e-04 3.1953e-05 2.0982e-05 -6.0000e+00 3.2851e-04 -2.3648e-03 0.0000e+00 11 8 0 10 0 0 100.00 22.51 0.32 -0.00236 -0.00445 895 169 1 5 0 56.380 26.21 20.00 22.51 28.30 38.0 1062.56 -624 -3589 -744 -5394 -1205 -74 2269 3118 3035 101 -469 1566 905 1644 1454 -800 -1380 -1544 327 993 -1583 876 1152 -70 509 -554 761 -966 428 1052 2359 1877 1785 -1021 -516 1111 414 508 733 -256 -1488 -1139 -1907 -1360 -1197 -560 -1372 -491 -726 299 837 523 751 911 858 424 1163 325 945 677 1066 1596 1117 413 -822 -524 169 351 1413 1025 122 -67 -497 -538 -663 -210 523 1051 1800 722 442 -307 -1160 -1117 -719 -887 -911 -508 -670 -500 -234 226 197 1366 1621 1393 806 801 -209 -612 -454 -649 157 747 190 -729 -356 -736 -203 11 -67 -336 -364 -106 -148 451 782 793 686 -64 -730 -368 -231 -372 220 255 364 1361 1091 207 523 17 322 212 267 -323 -190 181 -413 -500 -242 -150 -112 120 -81 -533 -111 -820 -161 -10 289 432 446 16 -78 256 158 320 321 -199 -348 -404 87 271 -455 248 327 -21 158 -183 250 -313 129 315 696 559 571 -351 -175 356 136 186 317 -125 -832 -683 -1197 -864 -763 -353 -863 -298 -430 173 488 322 491 626 586 299 830 236 678 481 758 1174 885 353 -737 -458 136 263 1090 815 109 -62 -476 -512 -635 -186 416 794 1300 552 360 -281 -1166 -1142 -774 -1020 -1072 -627 -850 -630 -283 264 209 1385 1597 1441 877 961 -265 -819 -600 -808 187 854 225 -932 -462 -1002 -286 16 -101 -529 -577 -161 -220 613 1041 1043 899 -90 -1099 -547 -342 -559 315 349 494 1745 1394 280 719 25 478 321 419 -515 -318 312 -704 -859 -426 -255 -184 193 SS 20240917T141138.7Z 9026.591420 332 1 18.31 2 52.68 126.95 135.26 309.91 0.00 1 0.00 1 0 17 8.719e-03 6.635e-03 9.804e-04 5.735e-04 2.178017e-01 3.019825e-04 2.666228e-03 -6.000000e+00 5.197810e-03 228.92 -2.00 3.51 -2.00 315.61 0.00e+00 4.035305e-05 2.987324e-05 4.040280e-05 -6.000000e+00 2.336110e-04 287.61 -2.00 20.00 -2.00 314.89 0.00e+00 1.645 0.000 302.00 328.00 3 2.0046e+00 7.7928e-04 1.9947e-02 -6.0000e+00 1.2916e-02 1.0769e-02 8.6596e-04 1.1282e-02 -6.0000e+00 1.3966e-02 -1.3674e-04 4.9567e-04 5.5256e-03 -6.0000e+00 8.3458e-03 -2.3953e-03 2.2172e-04 1.5363e-03 -6.0000e+00 3.5197e-03 1.0785e-02 -3.9108e-04 1.7604e-05 2.1863e-05 -6.0000e+00 2.6022e-04 -1.3478e-03 0.0000e+00 12 9 1 12 1 1 99.97 22.49 0.23 -0.00135 -0.00429 143 75 1 5 0 127.100 26.21 19.98 22.49 28.55 37.9 1063.43 -487 -2443 -2322 -3583 -1722 -124 484 1260 948 -382 -491 1078 714 1100 449 -152 -673 201 529 617 61 657 1470 522 736 -89 -276 -977 179 1419 1450 1767 1414 -923 -1030 522 216 759 401 -528 -1424 -939 -1283 -1167 -784 -774 -984 -814 -785 303 798 468 835 780 705 530 821 305 672 774 1307 1373 1120 577 -732 -296 -42 411 1309 880 257 -291 -639 -593 -748 -271 170 575 1329 311 181 -716 -1462 -1193 -1112 -970 -759 -526 -484 -658 -277 262 312 1178 1529 1279 891 736 -279 -514 -383 -561 32 840 70 -790 -275 -741 -217 -40 -119 -295 -391 -84 -57 543 790 932 734 -14 -585 -562 -239 -225 257 233 538 1422 1141 438 434 -76 184 185 234 -273 -262 128 -510 -415 -233 -257 -265 44 -116 -658 -647 -977 -422 -28 116 304 255 -111 -145 316 223 356 165 -58 -274 84 227 273 26 282 628 232 343 -44 -137 -473 80 636 648 782 673 -470 -518 248 105 386 229 -339 -990 -698 -948 -876 -588 -578 -728 -614 -575 216 574 355 639 629 590 436 687 259 563 641 1083 1182 993 550 -704 -276 -37 357 1119 778 244 -288 -656 -606 -763 -256 157 504 1112 263 163 -696 -1503 -1301 -1232 -1103 -889 -647 -611 -829 -335 302 340 1218 1594 1346 991 872 -351 -659 -485 -692 38 982 82 -962 -354 -969 -294 -55 -167 -421 -562 -120 -79 705 997 1162 952 -19 -816 -783 -341 -313 354 305 692 1792 1432 559 570 -105 253 259 340 -405 -397 200 -792 -649 -359 -396 -395 67 SS 20240917T141657.4Z 9026.595109 335 1 50.49 2 51.89 128.29 135.97 311.39 0.00 1 0.00 1 0 25 8.977e-03 6.429e-03 1.085e-03 5.572e-04 2.136104e-01 2.923704e-04 2.610513e-03 -6.000000e+00 5.351533e-03 228.92 -2.00 3.51 -2.00 316.04 0.00e+00 -1.515101e-05 3.179617e-05 4.004622e-05 -6.000000e+00 2.405203e-04 287.61 -2.00 20.00 -2.00 315.28 0.00e+00 1.616 0.000 302.00 328.00 3 2.8595e+00 7.5878e-04 1.9596e-02 -6.0000e+00 1.3298e-02 9.5304e-03 8.4573e-04 1.1087e-02 -6.0000e+00 1.4379e-02 4.9333e-03 4.8548e-04 5.4248e-03 -6.0000e+00 8.5927e-03 -5.0686e-03 2.2095e-04 1.5048e-03 -6.0000e+00 3.6238e-03 4.7512e-03 -3.5282e-04 1.7137e-05 2.0857e-05 -6.0000e+00 2.6792e-04 -1.3142e-03 0.0000e+00 11 8 0 10 0 0 99.99 22.50 0.16 -0.00131 -0.00397 427 81 1 5 0 118.210 26.21 20.02 22.50 28.59 38.0 1063.94 -1164 -2265 -1981 -4243 -1359 -287 1268 1686 1217 -1207 -31 959 743 848 885 -415 -871 416 724 677 -545 874 920 591 620 213 -159 -893 254 948 1475 1508 1747 -1057 -785 568 147 316 576 -488 -1424 -909 -1401 -1285 -1004 -668 -1234 -738 -728 451 800 505 785 823 770 576 999 292 871 806 1357 1462 1222 465 -718 -295 -39 437 1277 1012 83 -253 -617 -507 -607 -333 268 555 1306 268 112 -670 -1420 -1237 -1008 -1055 -651 -429 -414 -597 -328 198 218 1285 1403 1369 798 791 -330 -522 -388 -588 61 701 141 -785 -331 -732 -83 2 -26 -276 -258 -59 -155 503 783 846 623 -34 -688 -354 -242 -228 175 255 406 1295 1062 384 474 -87 271 143 237 -259 -231 183 -404 -491 -252 -198 -250 90 -236 -498 -450 -965 -279 -55 239 341 272 -290 -8 233 189 237 275 -140 -309 150 269 256 -214 341 360 239 260 93 -70 -383 104 371 572 608 752 -476 -353 245 64 150 309 -297 -951 -634 -1009 -940 -735 -486 -891 -522 -506 307 550 358 583 629 605 465 819 240 716 655 1103 1222 1064 428 -679 -276 -34 369 1068 885 78 -253 -629 -518 -602 -315 237 460 1054 224 101 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