File name: Pandora187s1_PittsburghPA_20240826_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20241126T205511.8Z 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_20240826_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: 20240826 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 20240826T115901.6Z 9004.499324 246 1 46.36 2 76.35 88.24 18.66 219.22 0.00 1 0.00 1 0 25 2.040e-01 7.782e-03 2.247e-01 5.659e-03 5.383992e-01 3.079496e-03 6.259115e-03 -6.000000e+00 1.199803e-01 230.66 -2.00 3.49 -2.00 320.64 0.00e+00 1.661618e-03 1.256470e-03 8.403343e-04 -6.000000e+00 5.390106e-03 288.34 -2.00 20.00 -2.00 319.95 0.00e+00 4.135 0.001 302.00 328.00 3 3.4574e+00 9.8795e-03 4.9694e-02 -6.0000e+00 2.9959e-01 -1.2819e-02 1.2739e-02 3.0029e-02 -6.0000e+00 3.2331e-01 -8.1949e-03 1.1665e-02 1.4523e-02 -6.0000e+00 1.9290e-01 -9.0591e-03 5.7639e-03 5.1618e-03 -6.0000e+00 8.3004e-02 1.6727e-04 -5.7495e-04 1.6905e-04 5.3172e-05 -6.0000e+00 5.6920e-03 -6.5259e-03 1.9255e-05 11 8 0 10 0 0 99.95 19.16 0.53 -0.00653 -0.01085 51 16 1 5 0 908.770 22.61 14.99 19.16 29.78 30.8 981.78 -75153 900000 -37125 78941 -103973 -55712 -97087 21784 -56736 -52784 -48000 -22008 -16872 -23022 -44872 -30358 15906 -9671 -3997 -10700 14396 -22656 -27003 3707 2492 -27506 -8519 -23801 -18157 -15814 -7351 -10019 38749 4989 -10804 3785 -6197 -5774 -4110 4739 -8392 -314 -2337 2037 1904 1955 1505 -2063 960 639 3645 -2688 1304 -1033 4734 870 2875 1190 4407 -1596 338 3292 4328 1082 150 -1431 1584 411 209 2180 520 684 683 2056 -760 -423 -3608 -1017 -272 -834 -2294 -1215 -1319 -1345 137 -85 -2506 984 2293 1438 1794 451 1766 218 -315 -1297 341 -480 130 408 -467 -1244 -610 82 -1937 -1031 -1211 -483 586 547 207 516 210 423 163 -331 214 -364 78 -842 -458 29 336 90 -150 -447 855 1197 781 251 335 514 -74 267 -78 -483 -108 -81 -256 161 -224 -131 -565 900000 -242 435 -1199 -391 -1120 120 -569 -556 -505 -199 -178 -323 -968 -670 247 -213 -99 -301 326 -750 -983 108 80 -1259 -329 -1037 -731 -663 -328 -536 1454 278 -679 207 -417 -462 -397 499 -1130 -42 -333 284 270 282 222 -322 150 107 654 -569 289 -254 1157 230 765 320 1123 -431 94 977 1430 406 58 -541 570 155 88 1024 271 368 362 1014 -352 -176 -1459 -408 -122 -440 -1414 -833 -977 -1058 114 -75 -2175 844 2114 1273 1469 349 1299 170 -276 -1316 354 -563 159 486 -519 -1264 -646 90 -2124 -1181 -1471 -623 817 842 343 874 348 662 240 -476 313 -567 129 -1442 -771 48 527 135 -217 -622 1160 1736 1270 451 645 1033 -144 550 -171 -1106 -253 -192 -596 355 -472 -287 SS 20240826T120928.0Z 9004.506574 249 1 30.18 2 74.36 89.93 19.95 225.01 0.00 1 0.00 1 0 25 1.102e-01 6.390e-03 8.559e-02 3.395e-03 4.750734e-01 1.811221e-03 5.545248e-03 -6.000000e+00 6.483731e-02 230.66 -2.00 3.49 -2.00 320.07 0.00e+00 1.473182e-03 6.059452e-04 3.785437e-04 -6.000000e+00 2.886795e-03 288.34 -2.00 20.00 -2.00 319.34 0.00e+00 3.642 0.001 302.00 328.00 3 2.9051e+00 5.4088e-03 4.3515e-02 -6.0000e+00 1.6190e-01 -2.1629e-02 6.6134e-03 2.5606e-02 -6.0000e+00 1.7471e-01 -7.7766e-03 5.5932e-03 1.2549e-02 -6.0000e+00 1.0417e-01 -6.5423e-03 2.8663e-03 4.2550e-03 -6.0000e+00 4.4612e-02 4.9466e-04 -2.8541e-04 1.0059e-04 4.4295e-05 -6.0000e+00 3.0734e-03 -7.4498e-03 3.0437e-05 12 1 1 12 1 1 82.81 19.17 0.49 -0.00745 -0.00959 49 23 1 5 0 602.990 22.61 15.00 19.17 30.56 30.8 986.24 10595 -30287 -4308 -44484 -46795 -51118 -36789 -32986 -13878 -46421 -34990 -19438 -15628 -12956 -23995 -2002 -11274 2901 -8397 621 -5837 -3097 -15961 1325 -7124 -6685 -9397 -5858 -8023 -6027 -1918 -7049 10447 -860 -2502 -7120 -3804 -3975 -1238 -2321 -1876 -776 276 -57 1365 26 1314 363 -567 433 539 451 -562 1288 2444 1254 571 624 520 1359 654 2766 3180 2756 812 -172 259 -148 878 921 1159 112 1617 361 504 -149 -693 -1203 -4254 -1576 -1706 -1411 -1949 -1222 -442 -7 -391 983 976 1352 712 445 304 -401 -293 -280 149 292 232 -338 -493 -901 28 -7 -1154 -1150 -551 -306 539 290 192 148 583 116 -3 49 -147 -123 -444 -413 -332 255 107 154 -119 -369 761 1107 769 532 255 204 230 102 108 -328 114 -278 -37 -127 -154 -449 73 -365 -43 -643 -634 -708 -476 -467 -184 -922 -707 -367 -341 -339 -850 -66 -452 109 -381 27 -280 -146 -893 68 -424 -418 -613 -355 -481 -371 -129 -572 802 -78 -220 -658 -378 -470 -174 -390 -350 -152 56 -12 283 6 278 78 -127 101 137 127 -172 417 820 441 207 225 184 475 241 1095 1399 1326 403 -82 119 -70 456 545 677 68 960 206 288 -77 -338 -595 -2411 -1010 -1140 -1051 -1569 -1035 -399 -7 -395 1001 986 1294 636 370 241 -331 -269 -291 175 352 293 -417 -616 -1029 30 -8 -1431 -1502 -693 -409 774 457 324 253 964 181 -5 70 -213 -190 -730 -702 -559 414 168 232 -172 -513 1029 1588 1225 928 439 364 428 203 228 -722 256 -633 -83 -272 -314 -883 SS 20240826T122010.1Z 9004.514006 252 1 46.02 2 72.33 91.68 21.40 230.28 0.00 1 0.00 1 0 25 6.851e-02 6.293e-03 2.766e-02 1.802e-03 4.255279e-01 9.453997e-04 5.025429e-03 -6.000000e+00 4.030707e-02 230.66 -2.00 3.49 -2.00 319.64 0.00e+00 1.570048e-03 2.750597e-04 4.030481e-04 -6.000000e+00 1.794541e-03 288.34 -2.00 20.00 -2.00 318.87 0.00e+00 3.248 0.001 302.00 328.00 3 2.5550e+00 2.7388e-03 3.8884e-02 -6.0000e+00 1.0065e-01 -1.7954e-02 3.2528e-03 2.3012e-02 -6.0000e+00 1.0861e-01 -1.2598e-02 2.5371e-03 1.1096e-02 -6.0000e+00 6.4758e-02 -3.4304e-03 1.3211e-03 3.8261e-03 -6.0000e+00 2.7736e-02 1.0734e-03 -9.6117e-05 5.3522e-05 3.8876e-05 -6.0000e+00 1.9105e-03 -7.9634e-03 2.6753e-05 10 0 0 10 0 0 30.79 19.17 0.37 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