File name: Pandora187s1_PittsburghPA_20240225_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20240226T054033.6Z 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 v1.8.59 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v3d20220705.txt Level 1 file used: Pandora187s1_PittsburghPA_20240225_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: 20240225 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 20240225T131309.5Z 8821.550805 272 1 31.23 2 77.60 113.68 96.49 284.39 0.00 1 0.00 1 0 25 4.764e-01 1.018e-02 3.624e-01 8.417e-03 7.371471e-01 4.650939e-03 8.293165e-03 -6.000000e+00 2.751674e-01 225.27 -2.00 3.49 -2.00 321.23 0.00e+00 7.906588e-04 2.143460e-03 1.126757e-03 -6.000000e+00 1.213832e-02 274.73 -2.00 20.00 -2.00 320.80 0.00e+00 4.526 0.002 302.00 328.00 3 2.8738e+00 1.5236e-02 5.8956e-02 -6.0000e+00 6.8265e-01 1.2682e-01 2.1930e-02 4.0677e-02 -6.0000e+00 7.4303e-01 -1.5857e-01 2.4400e-02 2.1887e-02 -6.0000e+00 4.4059e-01 5.9244e-02 1.1660e-02 6.9477e-03 -6.0000e+00 1.8918e-01 1.6241e-04 -1.2912e-03 2.3482e-04 8.6671e-05 -6.0000e+00 1.3470e-02 -2.5725e-02 0.0000e+00 12 9 9 12 1 1 98.12 18.90 0.44 -0.02572 -0.03543 17 8 1 5 0 1734.600 22.29 15.00 18.90 2.78 27.9 911.12 -126539 900000 -152578 900000 -245603 -171657 -141902 -185398 -158405 -92597 -85095 -56099 -119353 -92781 -68500 -29683 -51774 51106 -46008 78387 55610 -84713 -90578 -660 -19178 -59927 -22438 8313 -47726 24268 -16906 -16209 900000 29513 -19340 10579 7777 -723 -23691 7399 -13815 5808 -704 11672 5381 772 15520 -2699 2859 -5454 8122 2345 4991 -1338 12533 8696 9596 3045 9994 -2723 3325 1979 7007 2468 4601 1391 -1863 2682 -434 3876 863 1110 -174 -14 -3080 -1542 -4497 -3696 418 -89 -2213 -857 -898 -1614 1067 336 2275 1445 2909 199 -68 -1377 1374 -1438 -1028 -1101 -505 -1767 138 890 -934 236 -273 -357 -2907 -1665 -1412 280 879 153 -36 687 603 29 0 -241 567 -398 242 -147 -105 197 645 -52 149 -750 976 986 1046 45 276 308 106 224 -454 -367 -62 -369 -191 304 64 -238 -1038 900000 -1251 900000 -3564 -1408 -1164 -1872 -1516 -759 -698 -460 -1387 -1078 -796 -284 -708 419 -723 643 456 -2142 -2600 -9 -328 -1638 -429 114 -1142 315 -404 -465 900000 666 -687 282 239 -29 -1490 410 -1067 397 -54 806 401 62 1103 -242 258 -585 861 297 679 -212 1842 1391 1561 522 1684 -471 617 381 1475 611 1160 357 -500 730 -138 1349 336 443 -68 -5 -1040 -505 -1459 -1257 158 -37 -1103 -479 -546 -1049 721 242 1673 1087 2122 142 -45 -877 845 -981 -803 -1005 -532 -1970 159 993 -1054 235 -256 -346 -3091 -1839 -1657 351 1128 223 -57 1138 990 47 0 -355 850 -633 401 -247 -170 303 956 -75 205 -1004 1288 1429 1734 84 522 617 225 508 -1101 -918 -156 -940 -471 703 138 -488 SS 20240225T131857.0Z 8821.554827 275 1 45.10 2 76.59 114.72 97.54 285.32 0.00 1 0.00 1 0 25 3.302e-01 9.563e-03 3.165e-01 7.480e-03 6.964389e-01 4.192921e-03 7.985154e-03 -6.000000e+00 1.939521e-01 225.27 -2.00 3.49 -2.00 321.10 0.00e+00 -1.612815e-03 1.865114e-03 2.458591e-03 -6.000000e+00 9.430241e-03 274.73 -2.00 20.00 -2.00 320.65 0.00e+00 4.209 0.001 302.00 328.00 3 3.3995e+00 1.3325e-02 5.5780e-02 -6.0000e+00 4.8154e-01 -8.4251e-03 1.9148e-02 3.9957e-02 -6.0000e+00 5.2582e-01 1.5303e-02 2.1680e-02 2.2032e-02 -6.0000e+00 3.0945e-01 -1.4554e-02 1.0457e-02 6.9778e-03 -6.0000e+00 1.3560e-01 1.3794e-04 -1.2271e-03 2.1802e-04 9.5264e-05 -6.0000e+00 9.5346e-03 -2.6057e-02 0.0000e+00 12 8 8 10 0 0 94.61 18.90 0.42 -0.02606 -0.03528 24 7 1 5 0 1878.510 22.29 15.00 18.90 2.89 27.8 911.74 900000 900000 900000 900000 -226919 900000 -74188 900000 -129196 21054 -55211 900000 -51060 66105 -135324 900000 -27776 78196 -35905 80334 900000 -39040 -92595 -6959 -3994 -62020 41158 23625 10158 -1529 14159 -17867 900000 10017 -4059 -13880 32169 -3292 -2677 9505 -11761 2345 2307 6481 943 7367 4064 4151 -3670 2059 3477 -4029 -4144 -899 8489 4074 6332 5598 9282 -2202 2777 1687 8821 70 6836 -4538 2104 -1790 -1023 534 -205 1629 -62 -167 -931 -2509 -6111 -825 -3527 -33 -4076 -538 -2235 -2728 172 -10 727 2350 1091 1474 1615 -61 2643 51 -615 -1746 -95 68 626 622 -438 -941 1586 44 -1810 -1294 -1282 -507 719 599 -157 1078 -63 217 -188 -124 446 -257 74 -553 -466 727 -243 -121 -826 -994 1009 1227 1067 -164 394 115 136 151 -451 -766 -45 103 171 158 348 -373 900000 900000 900000 900000 -2202 900000 -540 900000 -940 153 -402 900000 -372 481 -2674 900000 -260 569 -448 585 900000 -568 -2504 -90 -56 -1677 438 291 142 -27 254 -530 900000 280 -127 -490 811 -144 -145 554 -961 180 186 512 80 598 350 374 -380 220 415 -584 -666 -153 1412 746 1170 1034 1601 -420 527 361 2010 20 1845 -1349 590 -552 -354 209 -88 707 -27 -67 -340 -841 -2036 -273 -1384 -15 -2073 -300 -1376 -1795 118 -7 546 1763 815 1041 1059 -38 1727 34 -472 -1574 -98 79 756 731 -477 -923 1427 41 -1870 -1398 -1472 -625 974 850 -246 1723 -100 330 -272 -175 640 -391 117 -895 -731 1078 -351 -179 -1188 -1376 1367 1694 1679 -292 754 234 273 324 -1034 -1819 -108 249 401 349 718 -784 SS 20240225T135206.9Z 8821.577858 288 1 46.86 2 71.01 120.96 103.45 290.79 0.00 1 0.00 1 0 25 1.105e-01 7.447e-03 1.487e-01 4.296e-03 5.177872e-01 2.225740e-03 6.129484e-03 -6.000000e+00 6.361558e-02 225.27 -2.00 3.49 -2.00 319.92 0.00e+00 1.949236e-03 6.954473e-04 1.099853e-03 -6.000000e+00 2.734024e-03 274.73 -2.00 20.00 -2.00 319.41 0.00e+00 3.037 0.000 302.00 328.00 3 3.8801e+00 6.3410e-03 4.0201e-02 -6.0000e+00 1.5758e-01 1.9631e-02 7.7052e-03 2.8050e-02 -6.0000e+00 1.7120e-01 9.8713e-03 7.0925e-03 1.3701e-02 -6.0000e+00 1.0167e-01 -1.4282e-02 3.7049e-03 4.6054e-03 -6.0000e+00 4.3426e-02 2.9695e-04 -9.9595e-04 1.2298e-04 4.8094e-05 -6.0000e+00 3.0756e-03 -2.6387e-02 0.0000e+00 11 8 0 10 0 0 89.29 18.89 0.26 -0.02639 -0.03387 23 7 1 5 0 2036.970 22.29 15.00 18.89 3.49 27.9 916.08 -19501 50110 1752 35336 -60184 -7125 -29756 -28126 -1731 -15608 -44297 -9727 -31960 -11254 -25550 -3450 -15174 -1076 -5843 5124 15597 -17952 -21146 -4136 -3443 -18398 -7622 14703 -7112 -6355 28 -4648 22031 -4153 -8508 -5578 -762 -6026 -6125 -566 -4599 -219 406 1704 436 1624 136 -1350 -1808 -1111 1509 568 42 373 3054 1975 2791 430 2612 -846 1877 2498 4025 1960 1886 -1470 -336 -428 307 1323 360 327 47 1569 -1083 223 -1536 -938 -931 -449 -2144 -1389 -2318 -2161 -196 -601 715 901 1034 1113 1291 310 1085 -459 166 -1068 285 -460 18 296 27 -590 221 -32 -1126 -898 -1187 -262 654 273 207 457 417 135 -312 -56 -98 -370 -326 -449 -503 319 -55 -42 -164 -474 936 1044 1018 526 297 395 453 238 87 -515 64 -379 -283 91 8 -642 -163 242 15 205 -834 -57 -326 -344 -18 -223 -814 -153 -770 -275 -883 -112 -614 -41 -253 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