File name: Pandora187s1_PittsburghPA_20230709_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20230710T223622.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v3d20220705.txt Level 1 file used: Pandora187s1_PittsburghPA_20230709_L1_smca1c3d20220705p1-8.txt Full location name: Pittsburgh, PA - Lawrenceville ACHD (USEPA AQS ID 42-003-0008) Short location name: PittsburghPA Country of location: United States Location latitude [deg]: 40.4655 Location longitude [deg]: -79.9608 Location altitude [m]: 265 Local noon date: 20230709 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: None First and last pixel inside fitting window: 194 335 Nominal wavelengths inside fitting window [nm]: 305.0947 305.2360 305.3774 305.5187 305.6601 305.8014 305.9427 306.0840 306.2253 306.3666 306.5079 306.6491 306.7904 306.9316 307.0728 307.2141 307.3553 307.4965 307.6376 307.7788 307.9200 308.0611 308.2023 308.3434 308.4845 308.6256 308.7667 308.9078 309.0489 309.1899 309.3310 309.4720 309.6131 309.7541 309.8951 310.0361 310.1771 310.3181 310.4591 310.6000 310.7410 310.8819 311.0228 311.1637 311.3046 311.4455 311.5864 311.7273 311.8681 312.0090 312.1498 312.2907 312.4315 312.5723 312.7131 312.8539 312.9946 313.1354 313.2761 313.4169 313.5576 313.6983 313.8390 313.9797 314.1204 314.2611 314.4018 314.5424 314.6831 314.8237 314.9643 315.1049 315.2455 315.3861 315.5267 315.6673 315.8078 315.9484 316.0889 316.2294 316.3699 316.5104 316.6509 316.7914 316.9319 317.0723 317.2128 317.3532 317.4936 317.6340 317.7744 317.9148 318.0552 318.1956 318.3359 318.4763 318.6166 318.7569 318.8972 319.0375 319.1778 319.3181 319.4584 319.5986 319.7389 319.8791 320.0193 320.1596 320.2998 320.4400 320.5801 320.7203 320.8605 321.0006 321.1407 321.2809 321.4210 321.5611 321.7012 321.8412 321.9813 322.1214 322.2614 322.4014 322.5415 322.6815 322.8215 322.9615 323.1014 323.2414 323.3814 323.5213 323.6612 323.8012 323.9411 324.0810 324.2209 324.3607 324.5006 324.6405 324.7803 324.9201 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20230709T174255.4Z 8590.738141 423 1 45.53 2 18.53 193.05 96.61 279.74 0.00 1 0.00 1 0 17 9.644e-03 7.043e-03 3.006e-03 1.809e-03 1.561877e-01 9.484290e-04 1.914757e-03 -6.000000e+00 5.701794e-03 232.69 -2.00 3.49 -2.00 315.50 0.00e+00 3.483244e-04 8.965648e-05 3.817192e-05 -6.000000e+00 2.520215e-04 287.98 -2.00 20.00 -2.00 314.76 0.00e+00 1.055 0.000 302.00 328.00 3 4.6528e+00 2.4699e-03 1.3247e-02 -6.0000e+00 1.4311e-02 2.0409e-02 2.7379e-03 8.2473e-03 -6.0000e+00 1.5434e-02 -2.6778e-03 1.5629e-03 4.0000e-03 -6.0000e+00 9.1836e-03 -3.6175e-03 6.9891e-04 1.1308e-03 -6.0000e+00 3.9041e-03 1.5693e-03 -2.9619e-04 5.2886e-05 1.5158e-05 -6.0000e+00 2.6913e-04 -1.7193e-02 0.0000e+00 11 8 0 10 0 0 99.90 17.71 0.42 -0.01719 -0.01942 55 17 1 5 0 827.550 21.17 14.99 17.71 32.07 27.1 1032.33 541 -359 -375 -3505 -3160 -1127 368 477 321 -1016 -1832 -523 355 612 617 -850 -131 1167 809 1435 633 668 1194 1091 749 366 -52 -622 -291 1485 1350 1186 2377 -1477 -3551 -2262 -1627 -1571 -675 -676 -1322 -835 -731 -442 124 -305 -425 -863 -1028 483 814 532 639 799 922 1225 1057 439 572 751 940 1404 1691 1283 -208 -736 -865 -298 453 241 165 275 630 689 250 -216 -515 -969 -551 -1132 -1226 -1574 -2168 -1236 -728 -431 329 368 625 550 153 -299 -199 49 -290 -194 804 581 -16 -114 -650 -875 -69 -119 -939 -670 -550 -243 434 513 279 393 504 107 -59 59 -412 -204 -72 -316 -392 181 48 134 393 -126 910 1077 1129 871 573 349 353 454 -58 -193 -3 -358 -363 -68 -571 -946 138 -98 -102 -993 -788 -264 90 129 95 -313 -552 -157 115 220 246 -365 -57 510 363 658 294 307 556 530 379 190 -26 -295 -127 622 585 541 1130 -723 -1648 -1036 -818 -920 -422 -482 -1012 -656 -584 -353 98 -238 -320 -627 -722 334 587 406 508 659 772 1036 903 373 478 630 822 1310 1678 1316 -206 -663 -722 -244 399 239 175 300 677 708 237 -184 -439 -799 -437 -1008 -1207 -1682 -2446 -1334 -841 -529 421 479 801 666 170 -328 -200 49 -309 -227 939 735 -20 -141 -755 -1037 -80 -136 -1167 -870 -745 -340 633 723 403 598 716 139 -71 74 -533 -257 -98 -453 -569 257 66 174 483 -160 1110 1351 1375 1115 756 466 482 650 -88 -282 -5 -545 -547 -107 -881 -1427 SS 20230709T180913.7Z 8590.756409 439 1 15.48 2 20.40 210.49 101.26 284.10 0.00 1 0.00 1 0 17 9.299e-03 7.101e-03 2.481e-03 1.635e-03 1.546365e-01 8.598288e-04 1.905294e-03 -6.000000e+00 5.498251e-03 232.69 -2.00 3.49 -2.00 315.13 0.00e+00 3.434780e-04 7.592173e-05 4.078984e-05 -6.000000e+00 2.430193e-04 287.98 -2.00 20.00 -2.00 314.44 0.00e+00 1.067 0.000 302.00 328.00 3 3.5434e+00 2.2289e-03 1.3291e-02 -6.0000e+00 1.3800e-02 2.8538e-02 2.4664e-03 8.1781e-03 -6.0000e+00 1.4882e-02 -2.0411e-03 1.4092e-03 3.9705e-03 -6.0000e+00 8.8556e-03 -4.8705e-03 6.2269e-04 1.1282e-03 -6.0000e+00 3.7649e-03 4.7098e-03 -2.3247e-04 4.7034e-05 1.5001e-05 -6.0000e+00 2.5950e-04 -1.7537e-02 0.0000e+00 12 9 1 12 1 1 99.72 17.71 0.42 -0.01754 -0.01928 29 28 1 5 0 509.970 21.17 15.00 17.71 32.22 27.3 1033.33 857 -272 -427 -2914 -2317 -782 551 897 587 -770 -1753 -541 271 315 832 -329 -153 861 786 1624 632 479 1439 1376 498 532 -174 -742 -21 1046 1408 1559 1557 -1775 -3310 -2668 -2329 -1216 -412 -966 -1272 -942 -891 -500 -26 -412 -627 -483 -816 73 627 47 866 1069 1093 1403 1053 403 769 914 1102 1394 1780 1118 -231 -663 -806 -335 567 312 240 339 469 596 325 140 -522 -475 -338 -898 -830 -1583 -2274 -1353 -742 -550 96 287 283 379 174 -421 -161 -24 -44 1 839 656 4 -262 -452 -657 135 -132 -998 -585 -546 -276 433 380 246 296 445 303 150 -59 -397 -282 -194 -450 -413 -118 56 457 483 -156 843 1127 1058 972 619 431 273 276 -51 -330 -4 -393 -353 -62 -528 -867 277 -86 -148 -945 -659 -210 154 277 199 -272 -607 -187 101 131 345 -147 -69 393 368 774 306 230 696 694 263 287 -92 -366 -11 503 698 810 853 -905 -1750 -1400 -1223 -736 -294 -722 -1017 -774 -745 -416 -21 -336 -494 -365 -596 57 473 37 716 916 952 1234 937 357 668 797 1001 1353 1695 1102 -220 -621 -698 -284 518 320 244 354 483 586 319 124 -457 -400 -302 -827 -843 -1617 -2453 -1524 -894 -655 119 363 353 480 201 -442 -167 -25 -49 1 1018 801 6 -338 -544 -740 150 -158 -1290 -732 -713 -373 608 560 346 435 610 408 186 -70 -488 -368 -254 -621 -576 -161 74 612 613 -189 977 1342 1335 1286 845 552 358 380 -75 -502 -6 -581 -517 -94 -782 -1254 SS 20230709T181659.7Z 8590.761802 445 1 45.46 2 21.20 215.02 102.62 285.42 0.00 1 0.00 1 0 17 1.386e-02 9.008e-03 1.032e-02 5.312e-03 1.659570e-01 2.774944e-03 2.027452e-03 -6.000000e+00 8.195343e-03 232.69 -2.00 3.49 -2.00 316.15 0.00e+00 1.259725e-04 2.993686e-04 5.197121e-05 -6.000000e+00 3.622479e-04 287.98 -2.00 20.00 -2.00 315.36 0.00e+00 1.072 0.000 302.00 328.00 3 6.0833e+00 7.2802e-03 1.3731e-02 -6.0000e+00 2.0569e-02 4.0338e-02 8.0886e-03 8.7511e-03 -6.0000e+00 2.2183e-02 -2.8894e-03 4.6408e-03 4.2512e-03 -6.0000e+00 1.3200e-02 -1.7560e-03 2.1264e-03 1.1812e-03 -6.0000e+00 5.6113e-03 3.5849e-04 -1.3828e-04 1.5702e-04 1.5175e-05 -6.0000e+00 3.8684e-04 -1.6942e-02 0.0000e+00 11 8 0 10 0 0 99.99 17.72 0.51 -0.01694 -0.01798 39 12 1 5 0 1165.530 21.17 15.00 17.72 32.69 27.1 1037.06 1408 1818 146 -4293 -5790 -2259 1707 848 2521 -1855 -3207 -1752 1281 -569 1329 -2256 65 1825 90 1434 1562 147 558 1437 966 138 -157 -493 -989 1404 -609 2346 4515 -363 -4914 -1691 -465 -1497 -957 -271 -1640 -1163 22 -418 536 -1177 369 -2051 -870 -865 1358 -415 760 -185 2118 1520 1301 390 922 231 622 2134 2087 1340 -387 -406 -828 -470 194 510 454 823 779 360 -11 -391 -1889 -2284 -772 -1710 -1890 -1379 -2355 -1421 -103 -113 837 1070 1291 631 497 -600 266 -676 -965 -239 449 679 -157 633 -605 -1249 -178 68 -1642 -948 -747 -181 770 526 672 590 548 -392 -532 -821 -696 -566 -221 -464 -52 303 -58 90 -52 69 1037 1277 1188 1130 360 702 505 738 -87 -420 445 -261 -443 -245 -589 -1061 294 402 33 -919 -1213 -439 338 188 601 -475 -809 -441 342 -172 437 -818 24 660 34 548 600 57 218 583 408 60 -67 -196 -364 494 -227 891 1773 -148 -1950 -651 -195 -742 -560 -179 -1174 -855 16 -310 391 -862 257 -1403 -569 -566 911 -299 566 -144 1644 1203 1041 311 720 183 511 1850 1932 1286 -361 -342 -649 -362 162 473 453 839 785 348 -10 -343 -1528 -1791 -636 -1586 -1765 -1386 -2507 -1580 -121 -143 1092 1419 1685 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