File name: Pandora187s1_PittsburghPA_20231010_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20231011T095431.2Z 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_20231010_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: 20231010 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 20231010T123033.2Z 8683.521218 194 1 45.90 2 78.79 108.93 35.06 128.56 0.00 1 0.00 1 0 25 3.994e-01 6.499e-03 1.147e-01 2.430e-03 6.478556e-01 1.314316e-03 7.443064e-03 -6.000000e+00 2.307147e-01 226.43 -2.00 3.49 -2.00 321.10 0.00e+00 1.010161e-03 6.226656e-04 1.489474e-03 -6.000000e+00 1.025404e-02 283.81 -2.00 20.00 -2.00 320.53 0.00e+00 4.967 0.002 302.00 328.00 3 5.1969e-01 4.4554e-03 5.9566e-02 -6.0000e+00 5.7119e-01 5.2863e-02 6.1326e-03 3.6711e-02 -6.0000e+00 6.1930e-01 -7.8431e-02 6.2109e-03 1.7975e-02 -6.0000e+00 3.6948e-01 2.0983e-02 2.9662e-03 5.8602e-03 -6.0000e+00 1.5855e-01 1.3077e-03 -1.2002e-03 6.9664e-05 6.9497e-05 -6.0000e+00 1.1124e-02 -1.8589e-02 0.0000e+00 11 8 0 10 0 0 -87.45 18.80 0.38 -0.01859 -0.02761 246 76 1 5 0 186.530 22.19 15.00 18.80 16.26 27.2 915.44 -129892 -73506 -138033 -129336 -158368 -126360 -165356 -114582 -124629 -100402 -115514 -89351 -89204 -64288 -59116 -41211 -31982 -28954 -30411 -32331 -9522 -35361 -28479 -22806 -13176 -31367 -18873 -36262 -25122 -17057 -20332 -10124 3401 -2380 -16974 -9956 -10785 -1669 -5225 1616 -2446 1653 705 1837 1914 2355 537 376 -350 1009 2047 2118 3674 2209 4142 2664 2591 1005 2298 698 1735 2239 4346 3273 1477 722 59 282 929 1580 1221 1795 888 1072 -37 -574 -2616 -2220 -1869 -963 -1142 -1303 -1863 -1314 -306 77 854 930 1718 978 582 -570 -586 -793 -722 -656 375 184 2 -117 -772 -765 -130 -153 -1760 -851 -965 -243 398 402 206 344 535 277 145 175 -215 -383 -433 -483 -158 171 533 256 311 -492 477 619 493 355 270 207 129 92 -191 -347 65 -228 -193 241 -74 -266 -755 -285 -1100 -919 -1398 -816 -1745 -839 -1154 -800 -1144 -789 -999 -720 -789 -550 -441 -430 -548 -628 -151 -737 -594 -497 -284 -862 -465 -1031 -637 -440 -650 -348 118 -92 -732 -408 -503 -86 -344 119 -210 146 66 174 184 230 55 40 -39 122 275 319 598 397 774 528 527 206 451 139 359 514 1114 941 444 213 18 88 327 632 531 799 388 437 -14 -195 -869 -771 -745 -451 -622 -803 -1248 -931 -230 55 639 707 1278 764 425 -397 -402 -584 -607 -581 378 210 3 -136 -829 -740 -119 -146 -1833 -925 -1117 -302 546 615 343 588 899 444 221 260 -331 -622 -742 -841 -267 278 833 386 451 -692 665 945 853 627 515 415 274 208 -462 -801 152 -540 -484 570 -164 -566 SS 20231010T123645.1Z 8683.525522 197 1 45.86 2 77.68 110.02 34.18 130.64 0.00 1 0.00 1 0 25 2.973e-01 5.929e-03 6.982e-02 1.811e-03 6.008647e-01 9.602484e-04 6.875072e-03 -6.000000e+00 1.717851e-01 226.43 -2.00 3.49 -2.00 320.81 0.00e+00 1.171672e-03 4.151067e-04 1.230392e-03 -6.000000e+00 7.634881e-03 283.81 -2.00 20.00 -2.00 320.21 0.00e+00 4.552 0.002 302.00 328.00 3 4.5856e-01 3.0781e-03 5.4494e-02 -6.0000e+00 4.2530e-01 3.3083e-02 4.0905e-03 3.3222e-02 -6.0000e+00 4.6111e-01 -4.7769e-02 4.0374e-03 1.6367e-02 -6.0000e+00 2.7510e-01 8.3496e-03 1.9786e-03 5.3923e-03 -6.0000e+00 1.1806e-01 2.1306e-03 -1.1717e-03 5.2287e-05 5.7396e-05 -6.0000e+00 8.2828e-03 -1.8668e-02 0.0000e+00 10 0 0 10 0 0 -75.59 18.80 0.33 -0.01867 -0.02747 321 99 1 5 0 142.810 22.19 15.00 18.80 17.36 27.2 922.99 -92714 -96102 -88984 -114747 -99615 -107385 -97703 -101684 -81782 -87718 -77184 -77015 -61000 -45845 -36319 -20298 -23169 -12308 -25652 -15585 -20418 -16979 -24795 -14578 -12611 -14827 -17231 -22147 -17664 -12605 -11454 -7863 1781 -5327 -8455 -8701 -5735 -3408 -1767 -335 106 -413 1341 29 1067 949 419 156 -573 1325 1317 1168 1574 2250 2089 2843 1657 1407 557 505 783 2421 2865 2727 1145 548 496 -275 1121 861 1437 952 1110 597 397 -548 -1524 -2358 -1522 -1521 -882 -1453 -1945 -1228 -691 83 580 1003 1132 1114 518 -55 -450 -538 -639 -532 398 552 -23 -296 -590 -706 38 -216 -1347 -1017 -654 -389 450 244 249 341 561 243 113 47 -281 -337 -480 -462 -237 120 403 350 167 -459 633 641 515 486 296 269 64 19 -187 -311 146 -290 -172 233 -65 -331 -580 -725 -671 -1087 -752 -879 -800 -996 -748 -929 -781 -890 -754 -680 -609 -344 -454 -239 -616 -358 -505 -411 -692 -404 -372 -474 -572 -747 -565 -418 -445 -347 82 -276 -434 -456 -329 -230 -144 -32 11 -47 158 4 131 119 54 21 -81 197 219 216 317 489 480 676 408 344 134 121 197 666 889 934 406 190 171 -100 453 398 716 490 556 281 170 -214 -574 -931 -682 -803 -535 -998 -1316 -876 -526 67 484 847 940 877 419 -42 -338 -430 -527 -506 431 668 -29 -365 -673 -727 38 -222 -1499 -1188 -808 -516 654 362 399 558 896 369 177 72 -444 -516 -778 -762 -382 186 656 546 251 -667 910 1002 832 867 569 543 136 39 -417 -718 342 -687 -397 511 -147 -712 SS 20231010T124217.2Z 8683.529365 200 1 45.95 2 76.70 111.01 33.42 132.56 0.00 1 0.00 1 0 25 2.220e-01 5.939e-03 4.796e-02 1.457e-03 5.634705e-01 7.744733e-04 6.526253e-03 -6.000000e+00 1.282589e-01 226.43 -2.00 3.49 -2.00 320.54 0.00e+00 1.742707e-03 3.046076e-04 9.789091e-04 -6.000000e+00 5.700335e-03 283.80 -2.00 20.00 -2.00 319.93 0.00e+00 4.238 0.001 302.00 328.00 3 4.3056e-01 2.3752e-03 5.0764e-02 -6.0000e+00 3.1754e-01 2.5593e-02 3.0640e-03 3.0815e-02 -6.0000e+00 3.4428e-01 -3.7030e-02 2.9300e-03 1.5182e-02 -6.0000e+00 2.0540e-01 4.7643e-03 1.4650e-03 5.3160e-03 -6.0000e+00 8.8145e-02 3.0351e-03 -1.1450e-03 4.2221e-05 5.5155e-05 -6.0000e+00 6.1840e-03 -1.8769e-02 0.0000e+00 10 0 0 10 0 0 -78.40 18.81 0.37 -0.01877 -0.02737 388 119 1 5 0 118.400 22.19 15.00 18.81 18.43 27.3 928.72 -74880 -63383 -67358 -79043 -80126 -85835 -76808 -71289 -58738 -62421 -60595 -57223 -49052 -31737 -27606 -17143 -18756 -12103 -11973 -9622 -11543 -11497 -16314 -8713 -10682 -10379 -14105 -12685 -13568 -10381 -7919 -4729 1118 -4508 -9041 -8126 -4672 -3878 -1089 -610 -819 33 533 434 1483 171 -426 109 -924 520 1265 774 1744 1695 1839 2472 1572 1148 609 755 1042 2033 2856 2324 910 349 65 -415 1000 1017 1295 889 896 875 255 -390 -1264 -1866 -1184 -1454 -1006 -1569 -2356 -1426 -738 -206 602 821 1127 1157 630 -195 -358 -437 -624 -399 517 597 -88 -194 -508 -661 -16 -262 -1365 -983 -650 -288 437 415 213 274 587 199 55 29 -251 -328 -582 -418 -222 219 373 406 111 -420 598 777 552 520 347 264 163 53 -266 -288 107 -224 -187 170 -121 -352 -580 -507 -600 -766 -724 -820 -734 -736 -607 -725 -800 -829 -815 -559 -576 -380 -472 -313 -333 -276 -346 -348 -549 -297 -401 -410 -585 -501 -534 -429 -375 -253 64 -287 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