File name: Pandora187s1_PittsburghPA_20240413_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20240425T213404.1Z 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 v1.8.59 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v3d20220705.txt Level 1 file used: Pandora187s1_PittsburghPA_20240413_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: 20240413 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 20240413T114521.4Z 8869.489831 65 1 1.65 2 79.21 86.89 105.81 29.06 0.00 1 0.00 1 0 25 5.293e-01 1.549e-02 4.972e-01 1.952e-02 8.392263e-01 1.096193e-02 9.392478e-03 -6.000000e+00 3.106126e-01 228.40 -2.00 3.49 -2.00 321.55 0.00e+00 4.760971e-03 5.593120e-03 2.743120e-03 -6.000000e+00 1.349983e-02 279.08 -2.00 20.00 -2.00 321.09 0.00e+00 5.146 0.002 302.00 328.00 3 6.6772e-01 3.8602e-02 7.0226e-02 -6.0000e+00 7.7401e-01 3.6673e-01 5.4286e-02 5.3152e-02 -6.0000e+00 8.3875e-01 -4.8429e-01 5.4877e-02 2.4403e-02 -6.0000e+00 4.9656e-01 1.9037e-01 2.5453e-02 9.8864e-03 -6.0000e+00 2.1197e-01 7.0046e-04 -1.3366e-03 5.2389e-04 1.0651e-04 -6.0000e+00 1.4902e-02 -2.9649e-02 0.0000e+00 12 9 9 12 1 1 -1358.08 18.86 0.40 -0.02965 -0.03969 4 43 1 5 0 329.040 22.19 14.99 18.86 12.97 29.5 969.85 -233480 900000 -124491 -87316 -188470 -30336 900000 -254370 -4489 -176403 9005 -238625 53011 -182018 -71416 -91589 -52357 -86281 -78441 -54245 -53590 26434 -50298 38700 -87190 8757 -67655 -8534 -61422 20952 -41364 -5467 19029 8485 -33628 4003 6587 31137 8167 20689 27517 25856 22611 24721 38386 2049 8673 11427 21549 9432 24530 4779 12874 13141 11080 18082 13888 18018 753 18543 6070 19000 12015 7884 2950 6208 4724 8558 4363 4410 5847 6432 2283 3148 4145 -1156 270 336 -179 99 3150 -1035 -2383 -2026 -1934 -1525 -2416 -167 1545 1583 -1360 -952 -1001 -1942 -1631 -1418 -1167 -2305 -1620 -466 1477 378 -984 1581 -2165 -1237 -2578 389 -396 -385 54 -185 -154 200 699 -83 210 -360 837 -561 -273 0 1973 1079 587 51 722 784 769 1049 560 782 66 -15 -807 -221 501 -126 -347 8 -421 -919 -4443 900000 -2369 -1662 -3586 -577 900000 -4840 -85 -3357 171 -5779 1009 -4408 -1359 -1743 -996 -1642 -1493 -1032 -1020 503 -957 736 -2262 167 -1674 -162 -1403 399 -1102 -125 398 210 -1216 99 175 770 311 827 1152 1181 1119 1223 1680 133 545 739 1353 736 1867 500 1372 1525 1392 2202 1797 2194 105 2117 820 2531 1989 1545 640 1300 1025 1905 1146 1326 1880 2105 752 946 1104 -293 65 87 -55 37 1331 -522 -1329 -1195 -1215 -1007 -1674 -115 1026 997 -823 -547 -577 -1235 -1204 -1124 -1082 -2472 -1838 -511 1456 334 -817 1313 -1992 -1187 -2681 429 -498 -553 86 -285 -259 325 1077 -127 327 -594 1430 -976 -455 0 2942 1564 826 70 987 1190 1240 1916 1128 1681 153 -35 -1977 -554 1265 -321 -859 19 -980 -2022 SS 20240413T115107.8Z 8869.493840 68 1 2.19 2 78.12 87.81 105.29 30.20 0.00 1 0.00 1 0 17 5.660e-01 1.185e-02 4.297e-01 1.272e-02 7.753656e-01 7.017298e-03 8.551497e-03 -6.000000e+00 3.297229e-01 228.40 -2.00 3.49 -2.00 321.35 0.00e+00 -1.391337e-04 3.404730e-03 1.412029e-03 -6.000000e+00 1.438723e-02 279.08 -2.00 20.00 -2.00 320.87 0.00e+00 4.707 0.002 302.00 328.00 3 7.9866e-01 2.3645e-02 6.2286e-02 -6.0000e+00 8.2149e-01 1.5385e-01 3.4048e-02 4.3516e-02 -6.0000e+00 8.8976e-01 -2.3534e-01 3.6309e-02 2.2925e-02 -6.0000e+00 5.2882e-01 9.3704e-02 1.7079e-02 7.1257e-03 -6.0000e+00 2.2656e-01 1.0408e-03 -8.7631e-04 3.4628e-04 8.4709e-05 -6.0000e+00 1.5767e-02 -2.8599e-02 0.0000e+00 12 9 9 12 1 1 -202.60 18.86 0.30 -0.02860 -0.03518 7 52 1 5 0 273.140 22.29 15.00 18.86 12.93 29.5 970.09 -176888 900000 -247916 -103791 -258090 -111091 -239660 23190 -233774 -113881 -193671 -137228 -82963 -56491 -47686 -53422 110611 -57273 5066 -65821 46266 -91288 -14822 -62518 -4017 -57501 -12780 -48510 -36946 -37557 -11468 -3342 12141 48977 -27211 6300 -17671 23533 -17575 -1198 -8654 4248 -115 18544 4544 5169 11718 3486 10198 6520 7586 8301 13220 2074 12061 2436 9811 3957 10525 70 3610 7459 11493 4855 4056 5674 -83 3876 -1061 5868 924 2044 1537 1361 -881 1389 -3866 -1583 -2320 164 -2391 -796 -3043 -2212 89 -296 1244 -662 3036 -94 537 -1643 -744 -1995 -630 -1864 731 333 -649 -507 -831 -1049 87 1405 -2343 12 -1288 -86 -888 332 5 407 378 353 31 204 98 -903 -207 64 294 470 1018 -238 725 192 446 348 528 363 263 217 338 284 -552 -479 -95 625 -186 357 -971 -411 -2193 900000 -3632 -1287 -3781 -1377 -3241 287 -3952 -1412 -2619 -1701 -1028 -700 -591 -662 1371 -775 63 -1224 574 -2263 -184 -1395 -55 -1426 -206 -1082 -733 -838 -242 -79 286 850 -978 164 -657 700 -980 -68 -601 279 -8 1126 321 372 813 277 809 590 771 947 1590 306 1719 402 1545 652 1566 11 591 1313 2237 1138 1001 1365 -21 1028 -335 1986 357 803 589 484 -288 401 -1136 -483 -831 69 -1206 -451 -1746 -1339 56 -199 856 -472 2050 -68 362 -1075 -481 -1417 -464 -1628 724 376 -783 -596 -898 -1013 77 1281 -2371 13 -1447 -104 -1214 465 8 656 607 545 45 320 145 -1422 -339 105 466 710 1607 -367 1065 274 636 549 875 678 536 470 718 647 -1346 -1205 -241 1582 -460 826 -2120 -913 SS 20240413T115534.6Z 8869.496928 71 1 45.91 2 77.27 88.53 104.87 31.07 0.00 1 0.00 1 0 25 5.116e-01 6.743e-03 3.211e-01 5.195e-03 7.439659e-01 2.879297e-03 8.523358e-03 -6.000000e+00 2.979289e-01 228.40 -2.00 3.49 -2.00 321.40 0.00e+00 4.966617e-04 1.434591e-03 3.937982e-03 -6.000000e+00 1.288245e-02 279.08 -2.00 20.00 -2.00 320.94 0.00e+00 4.417 0.001 302.00 328.00 3 1.5944e+00 9.9637e-03 6.2554e-02 -6.0000e+00 7.4226e-01 6.8207e-02 1.4823e-02 4.9974e-02 -6.0000e+00 8.0405e-01 -7.7457e-02 1.6399e-02 2.3756e-02 -6.0000e+00 4.7757e-01 2.0510e-02 7.6567e-03 7.0818e-03 -6.0000e+00 2.0339e-01 6.3130e-04 -1.5589e-03 1.4452e-04 1.0075e-04 -6.0000e+00 1.4249e-02 -2.5571e-02 0.0000e+00 11 8 0 10 0 0 99.99 18.86 0.32 -0.02557 -0.03729 371 114 1 5 0 123.720 22.29 15.00 18.86 13.08 29.8 972.45 -71648 -123004 -44406 -206436 -136756 -189516 -160551 -219641 -95100 -189237 -152129 -169540 -78826 -120963 -108785 -50063 -61496 -4264 -52922 -13812 -35121 9413 -73380 4625 -34659 -27729 -57986 -39779 -64636 -12851 -35208 -26048 16672 -3226 -11756 -10180 3683 -15843 4885 -1762 5107 -6390 6742 2738 4377 -328 2202 -4125 -21 3298 3835 4399 516 4429 2708 5287 3599 5001 2723 3474 -224 746 3924 3257 -250 273 1150 -414 1532 1518 2116 603 1991 883 873 -634 -1044 -2004 -1586 -1485 -1188 -738 -1801 -1061 -583 497 215 1146 793 1995 414 841 -677 131 -1384 -869 -151 304 31 -22 -368 -750 438 223 -1526 -1358 -523 -737 616 2 84 32 504 -104 283 70 -77 -396 -537 -332 -172 525 324 686 -183 -415 408 785 226 370 305 178 158 179 -41 -323 133 -239 -214 229 -26 -420 -363 -623 -225 -1426 -693 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