File name: Pandora187s1_PittsburghPA_20240720_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20241126T204127.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v5d20230706.txt Level 1 file used: Pandora187s1_PittsburghPA_20240720_L1_smca1c5d20230706p1-8.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: 20240720 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]: 305.0595 305.2010 305.3424 305.4838 305.6252 305.7666 305.9080 306.0494 306.1908 306.3321 306.4735 306.6148 306.7561 306.8974 307.0387 307.1800 307.3213 307.4626 307.6038 307.7451 307.8863 308.0275 308.1687 308.3099 308.4511 308.5923 308.7335 308.8746 309.0158 309.1569 309.2980 309.4391 309.5802 309.7213 309.8624 310.0035 310.1445 310.2856 310.4266 310.5676 310.7086 310.8496 310.9906 311.1316 311.2726 311.4135 311.5545 311.6954 311.8363 311.9772 312.1181 312.2590 312.3999 312.5408 312.6816 312.8225 312.9633 313.1041 313.2449 313.3857 313.5265 313.6673 313.8080 313.9488 314.0895 314.2303 314.3710 314.5117 314.6524 314.7931 314.9338 315.0744 315.2151 315.3557 315.4963 315.6370 315.7776 315.9182 316.0587 316.1993 316.3399 316.4804 316.6210 316.7615 316.9020 317.0425 317.1830 317.3235 317.4640 317.6044 317.7449 317.8853 318.0257 318.1662 318.3066 318.4470 318.5873 318.7277 318.8681 319.0084 319.1488 319.2891 319.4294 319.5697 319.7100 319.8503 319.9905 320.1308 320.2710 320.4113 320.5515 320.6917 320.8319 320.9721 321.1123 321.2524 321.3926 321.5327 321.6728 321.8130 321.9531 322.0932 322.2333 322.3733 322.5134 322.6534 322.7935 322.9335 323.0735 323.2135 323.3535 323.4935 323.6335 323.7734 323.9134 324.0533 324.1932 324.3332 324.4731 324.6129 324.7528 324.8927 --------------------------------------------------------------------------------------- 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 20240720T111538.2Z 8967.469193 185 1 45.87 2 78.80 72.51 115.66 254.04 0.00 1 0.00 1 0 25 4.413e-01 8.908e-03 3.294e-01 5.839e-03 6.760358e-01 3.309667e-03 7.631966e-03 -6.000000e+00 2.613534e-01 232.49 -2.00 3.49 -2.00 321.26 0.00e+00 2.022978e-03 1.669213e-03 1.178221e-03 -6.000000e+00 1.175934e-02 288.69 -2.00 20.00 -2.00 320.66 0.00e+00 4.967 0.002 302.00 328.00 3 2.5530e+00 1.1828e-02 6.1378e-02 -6.0000e+00 6.5545e-01 2.8244e-02 1.6722e-02 3.9368e-02 -6.0000e+00 7.0664e-01 -6.3864e-02 1.6805e-02 1.9491e-02 -6.0000e+00 4.2094e-01 1.2428e-02 7.8745e-03 7.9126e-03 -6.0000e+00 1.8182e-01 1.6347e-04 -1.3937e-04 1.6882e-04 7.6470e-05 -6.0000e+00 1.2412e-02 -4.7462e-03 2.9140e-05 11 8 0 10 0 0 91.28 18.84 0.56 -0.00475 -0.00579 58 18 1 5 0 790.690 22.19 15.01 18.84 26.69 30.5 968.75 900000 900000 -46438 -179488 -179423 -25199 -125456 -168889 -134304 -162319 -109324 -86124 -130682 -78631 -48403 18053 -63803 53852 -42993 32784 21962 -31457 -84158 -18607 -23693 -45167 -35088 -37324 -49750 -16163 -29508 -17213 169534 -10060 -7691 1282 17109 3042 -8941 3358 -7351 291 2562 2360 5089 6457 9364 -1255 -4034 449 4871 426 -207 4440 2631 4543 3790 3231 2293 450 1513 3719 6106 1571 1240 -1388 1583 1533 803 1851 2882 1206 1674 625 -279 -2323 -3823 -2401 -13138 -588 -971 -26 -1221 -812 556 1629 -2688 2350 2284 2287 1043 609 30 -305 -331 -1344 -232 -704 367 20 93 -1191 140 249 -1472 -1195 -495 -708 452 447 402 418 566 322 -202 -324 -490 -222 -167 -161 -820 348 -75 237 -69 -549 513 1280 379 265 353 258 328 -11 -139 -390 203 -165 -156 -51 73 -253 900000 900000 -264 -1393 -1300 -143 -714 -1398 -903 -1596 -679 -490 -1488 -692 -401 103 -858 307 -578 221 170 -423 -2047 -286 -418 -1054 -759 -807 -1218 -313 -789 -490 965 -332 -241 37 477 118 -483 193 -531 21 191 181 388 500 725 -113 -395 46 535 55 -30 665 427 758 656 559 390 78 271 728 1335 401 330 -371 413 421 251 657 1106 486 656 232 -95 -728 -1164 -754 -5294 -249 -481 -14 -747 -527 382 1178 -2122 1799 1729 1647 708 392 19 -208 -258 -1231 -221 -762 415 22 94 -1108 134 247 -1595 -1237 -541 -840 589 653 640 688 919 501 -300 -471 -733 -351 -278 -273 -1363 550 -114 348 -99 -755 697 1886 640 500 720 511 687 -24 -334 -970 512 -421 -390 -121 163 -536 SS 20240720T112140.5Z 8967.473386 188 1 45.46 2 77.70 73.42 116.71 254.85 0.00 1 0.00 1 0 25 3.264e-01 8.682e-03 3.000e-01 5.268e-03 6.298337e-01 2.932907e-03 7.203657e-03 -6.000000e+00 1.931760e-01 232.49 -2.00 3.49 -2.00 321.05 0.00e+00 2.635749e-03 1.377546e-03 2.009556e-03 -6.000000e+00 8.672987e-03 288.69 -2.00 20.00 -2.00 320.42 0.00e+00 4.557 0.002 302.00 328.00 3 2.8842e+00 1.0060e-02 5.7479e-02 -6.0000e+00 4.8451e-01 9.5791e-03 1.3760e-02 3.8991e-02 -6.0000e+00 5.2219e-01 -2.6275e-02 1.3491e-02 1.7441e-02 -6.0000e+00 3.1111e-01 -2.6200e-03 6.4405e-03 8.2279e-03 -6.0000e+00 1.3310e-01 1.7795e-04 -5.4023e-04 1.5302e-04 6.4924e-05 -6.0000e+00 9.1180e-03 -4.0319e-03 -3.0227e-05 11 8 0 10 0 0 97.48 18.84 0.48 -0.00403 -0.00809 50 15 1 5 0 909.030 22.19 14.97 18.84 27.03 30.4 970.46 115762 63831 900000 -115417 -149312 -130132 -87432 -51516 -86708 -98083 -54306 -20684 -98995 8599 -80789 -13820 -60059 10305 -47645 8180 15714 -23419 -61613 -2299 -24349 -36044 -24174 -26508 -20705 -17595 2398 -22556 98060 2567 -1997 -6086 5509 -9985 -1134 -390 -1481 -5521 -2362 1535 -146 3612 1570 1917 -5717 779 2549 8 824 41 4212 3765 2438 2387 2259 198 1006 3648 6380 432 2618 -188 1149 219 211 1244 1464 586 1436 330 1763 -1318 -1632 -736 -11741 -1434 -1925 30 -1793 -1298 633 901 -2526 2275 2310 2069 1127 420 1195 99 -351 -830 78 -484 758 -278 -22 -385 379 -450 -1550 -1057 -1122 -396 587 242 -131 239 235 246 -246 39 -161 -21 -521 -491 -182 393 -252 108 -118 -850 642 1516 514 375 644 392 358 -28 92 -750 278 -304 -150 -45 -73 -102 594 328 900000 -700 -1185 -850 -449 -265 -526 -733 -279 -106 -1155 44 -1282 -135 -1065 101 -912 105 194 -433 -1772 -40 -575 -1018 -621 -681 -500 -452 60 -869 1309 95 -75 -241 218 -554 -71 -29 -125 -524 -229 147 -15 356 162 205 -693 96 344 1 139 8 794 744 502 489 452 40 214 841 1628 130 794 -57 343 69 75 501 641 268 637 139 664 -463 -547 -254 -5173 -675 -1056 18 -1203 -922 473 715 -1973 1728 1907 1629 833 294 810 72 -291 -726 78 -548 894 -322 -24 -372 345 -430 -1609 -1150 -1298 -490 795 366 -216 405 390 388 -369 57 -242 -33 -880 -846 -307 632 -394 162 -170 -1188 879 2237 864 702 1187 764 734 -62 216 -1835 686 -763 -368 -104 -159 -214 SS 20240720T112657.1Z 8967.477050 191 1 25.82 2 76.74 74.21 117.63 255.56 0.00 1 0.00 1 0 25 2.878e-01 8.214e-03 2.666e-01 6.785e-03 5.927647e-01 3.701597e-03 6.783265e-03 -6.000000e+00 1.703715e-01 232.49 -2.00 3.49 -2.00 320.82 0.00e+00 3.362507e-03 1.615375e-03 1.152812e-03 -6.000000e+00 7.616279e-03 288.69 -2.00 20.00 -2.00 320.16 0.00e+00 4.249 0.001 302.00 328.00 3 3.1737e+00 1.2189e-02 5.2944e-02 -6.0000e+00 4.2731e-01 2.8090e-02 1.6152e-02 3.4339e-02 -6.0000e+00 4.6052e-01 -5.1650e-02 1.5321e-02 1.6318e-02 -6.0000e+00 2.7438e-01 1.1045e-02 7.4574e-03 7.7373e-03 -6.0000e+00 1.1760e-01 1.8227e-04 -5.6704e-04 1.9634e-04 6.2504e-05 -6.0000e+00 8.0349e-03 -4.6768e-03 1.3207e-05 12 9 1 12 1 1 98.62 18.85 0.53 -0.00468 -0.00894 23 13 1 5 0 1075.410 22.29 15.00 18.85 27.34 30.4 972.42 -36048 900000 -80256 -73118 -150253 -37118 -111978 -78705 -114229 -90330 -90557 -47897 -50380 -41238 -47405 -18076 -24048 49098 -20810 18754 30194 -29185 -58152 -10913 -10830 -28034 -14263 -20985 -9198 -11701 -847 -15281 69465 12048 -10781 -7624 5940 -5804 -8109 -265 -5790 3061 -1156 3827 1217 6437 1530 -444 -1047 2201 4555 -2640 -190 570 5637 1383 4995 -608 3722 -1025 -200 3064 6538 613 2302 -722 469 698 935 -299 1147 576 1491 3 -1013 -639 -4072 -401 -2449 -483 -2763 -1453 -2219 -923 -512 427 1378 1699 1742 1923 943 592 809 -501 -484 -2035 413 -564 443 46 -328 -720 -67 444 -1913 -1249 -1069 -615 180 276 131 504 446 188 -117 -26 -599 16 -303 -109 -362 220 248 10 52 -928 1041 1305 866 267 358 -185 392 309 -37 -469 231 -301 -287 214 -175 -393 -238 900000 -579 -484 -1988 -246 -1077 -615 -1442 -978 -1035 -403 -545 -521 -798 -272 -434 520 -482 310 459 -811 -2269 -289 -308 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