File name: Pandora187s1_PittsburghPA_20210908_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T073835.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Luke Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora187_OF_v2d20210517.txt Instrument calibration file used: Pandora187s1_CF_v2d20210902.txt Level 1 file used: Pandora187s1_PittsburghPA_20210908_L1_smca1c2d20210902p1-8.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: 20210908 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]: 305.1270 305.2683 305.4097 305.5510 305.6924 305.8337 305.9750 306.1163 306.2576 306.3989 306.5402 306.6814 306.8227 306.9639 307.1051 307.2464 307.3876 307.5288 307.6699 307.8111 307.9523 308.0934 308.2346 308.3757 308.5168 308.6579 308.7990 308.9401 309.0812 309.2222 309.3633 309.5043 309.6454 309.7864 309.9274 310.0684 310.2094 310.3504 310.4914 310.6323 310.7733 310.9142 311.0551 311.1960 311.3369 311.4778 311.6187 311.7596 311.9004 312.0413 312.1821 312.3230 312.4638 312.6046 312.7454 312.8862 313.0269 313.1677 313.3084 313.4492 313.5899 313.7306 313.8713 314.0120 314.1527 314.2934 314.4341 314.5747 314.7154 314.8560 314.9966 315.1372 315.2778 315.4184 315.5590 315.6996 315.8401 315.9807 316.1212 316.2617 316.4022 316.5427 316.6832 316.8237 316.9642 317.1046 317.2451 317.3855 317.5259 317.6663 317.8067 317.9471 318.0875 318.2279 318.3682 318.5086 318.6489 318.7892 318.9295 319.0698 319.2101 319.3504 319.4907 319.6309 319.7712 319.9114 320.0516 320.1919 320.3321 320.4723 320.6124 320.7526 320.8928 321.0329 321.1730 321.3132 321.4533 321.5934 321.7335 321.8735 322.0136 322.1537 322.2937 322.4337 322.5738 322.7138 322.8538 322.9938 323.1337 323.2737 323.4137 323.5536 323.6935 323.8335 323.9734 324.1133 324.2532 324.3930 324.5329 324.6728 324.8126 324.9524 --------------------------------------------------------------------------------------- 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 20210908T120038.8Z 7921.500449 368 1 23.45 2 78.23 92.82 96.07 83.03 0.00 1 0.00 1 0 25 2.878e-01 1.087e-02 3.303e-01 1.122e-02 5.880744e-01 6.115970e-03 6.961607e-03 -6.000000e+00 1.693059e-01 229.68 -2.00 3.49 -2.00 320.88 0.00e+00 -3.938780e-03 2.747539e-03 2.997715e-03 -6.000000e+00 8.392643e-03 287.41 -2.00 20.00 -2.00 320.21 0.00e+00 4.747 0.002 302.00 328.00 3 3.0033e+00 2.0162e-02 5.6943e-02 -6.0000e+00 4.2332e-01 -2.9390e-02 2.7021e-02 3.5769e-02 -6.0000e+00 4.6059e-01 1.1950e-02 2.6195e-02 1.8130e-02 -6.0000e+00 2.7253e-01 -8.2558e-03 1.2704e-02 5.0251e-03 -6.0000e+00 1.1658e-01 1.4667e-04 -1.3144e-03 3.3924e-04 8.0557e-05 -6.0000e+00 8.1834e-03 9.2604e-03 -6.8237e-05 12 9 9 12 1 1 74.24 18.95 0.59 0.00926 -0.00062 8 6 1 5 0 2585.510 22.29 15.01 18.95 27.51 10.1 986.38 900000 900000 -4106 -79712 -83662 900000 -89386 -128177 900000 -125613 900000 -66114 -16003 900000 -20470 147062 -3892 900000 -42849 80183 900000 -68780 1523 13424 49695 -17666 59631 36518 -23138 -28410 -24403 -16208 21177 13267 5849 1810 426 -6409 -7257 7104 -12774 6732 1573 529 7802 8259 13719 -10238 -3332 -2769 -478 -50 -3073 860 11631 -2352 3361 3564 1606 -6676 -982 -75 5685 3933 4316 360 -1823 -359 753 -722 1883 1237 446 1890 -1468 -540 -5836 410 -1797 -896 -3230 -875 -3148 -1136 1536 -927 2029 2156 1815 1701 644 569 2876 -730 -1736 97 853 -355 -60 393 237 -1019 187 -908 -2214 -339 -1996 -677 1434 251 238 623 -158 20 -422 -1261 -675 -544 -170 426 379 570 -809 729 -1009 313 2337 296 328 227 290 224 204 204 657 -621 796 -663 -411 -566 312 -433 900000 900000 -45 -871 -914 900000 -977 -1634 900000 -1944 900000 -722 -175 900000 -261 1607 -53 900000 -1014 876 900000 -2380 29 280 790 -579 888 653 -758 -1101 -1067 -757 757 514 238 83 23 -465 -656 649 -1561 715 181 62 860 919 1472 -1444 -463 -421 -80 -9 -638 185 2380 -579 795 825 370 -1691 -253 -21 1722 1293 1393 118 -619 -130 310 -339 917 611 213 824 -597 -200 -2238 160 -833 -482 -1864 -546 -2144 -812 1146 -750 1648 1757 1440 1264 450 379 2059 -544 -1496 94 936 -431 -73 450 248 -992 180 -948 -2489 -394 -2515 -914 1940 378 377 986 -242 29 -633 -1905 -977 -834 -271 677 585 848 -1178 1085 -1470 435 3290 436 541 408 552 447 399 427 1444 -1417 1821 -1536 -915 -1193 664 -906 SS 20210908T120755.1Z 7921.505499 395 1 3.99 2 76.85 94.02 94.77 84.20 0.00 1 0.00 1 0 25 3.388e-01 1.351e-02 3.704e-01 1.861e-02 5.233649e-01 9.781847e-03 6.210144e-03 -6.000000e+00 1.965546e-01 229.68 -2.00 3.49 -2.00 320.52 0.00e+00 -4.699084e-04 3.885692e-03 2.358210e-03 -6.000000e+00 8.938203e-03 287.41 -2.00 20.00 -2.00 319.81 0.00e+00 4.284 0.001 302.00 328.00 3 2.5195e+00 3.0873e-02 5.1120e-02 -6.0000e+00 4.8961e-01 -1.9436e-02 3.9170e-02 3.1867e-02 -6.0000e+00 5.3084e-01 -9.4879e-03 3.4311e-02 1.4313e-02 -6.0000e+00 3.1674e-01 7.7523e-04 1.7030e-02 3.9104e-03 -6.0000e+00 1.3478e-01 3.8846e-04 -1.3221e-03 5.5383e-04 5.0801e-05 -6.0000e+00 9.4710e-03 7.4969e-03 -8.4920e-05 12 9 9 12 1 1 999.00 18.95 0.48 0.00750 -0.00244 2 11 1 5 0 1267.540 22.29 15.00 18.95 27.39 10.0 985.05 -90749 900000 2922 -4131 -65559 -60490 8157 51551 103740 -125305 185323 -62892 221979 -51841 52706 -35794 -918 -13677 48619 -31486 -5917 -49262 -11016 -12568 -26906 -10972 -12606 11545 12335 31610 -27155 36260 964 38694 -19491 -644 -21409 208 -5550 6471 -11517 5169 1557 11366 11723 -7100 4595 -5844 8634 -3261 5929 -1416 3854 -1142 6589 3994 5692 1349 1499 686 -2350 8768 831 5081 -1451 3157 -2294 1474 -1796 2429 -267 1546 -1798 -99 -1616 -3555 -3360 -3052 1065 -3914 -503 -1929 -2342 -4778 1487 -640 1422 1038 2110 1176 1806 -871 1299 1405 -1417 561 -156 2748 -1539 -202 -316 883 57 -1145 -524 -1362 -592 319 1220 -219 189 -412 419 -129 1006 -665 39 -211 -146 -1062 -677 -396 -642 736 -434 1244 162 562 462 1692 526 945 -965 -267 -733 -9 58 -160 298 64 -212 -262 -1646 900000 53 -75 -1189 -1097 148 935 1882 -3672 3362 -1229 4027 -1375 956 -1099 -22 -401 882 -1230 -182 -2406 -400 -509 -1352 -490 -563 419 448 1051 -1889 1535 64 1755 -1532 -45 -2136 20 -705 841 -1800 781 232 1684 1755 -1199 757 -1096 1462 -675 1246 -324 909 -303 1692 1092 1678 376 444 208 -731 2729 312 1936 -577 1154 -890 590 -850 1234 -148 848 -981 -49 -737 -1639 -1509 -1463 523 -2349 -332 -1422 -1843 -4121 1293 -601 1355 999 1952 1027 1454 -679 990 1161 -1369 564 -179 3340 -1966 -241 -344 944 62 -1251 -605 -1670 -765 441 1840 -341 308 -671 649 -202 1478 -991 60 -325 -236 -1743 -1079 -609 -1023 1107 -634 1724 232 887 756 2964 983 1833 -1887 -553 -1608 -21 132 -366 653 134 -450 -543 SS 20210908T120917.6Z 7921.506453 397 1 45.56 2 76.59 94.25 94.52 84.42 0.00 1 0.00 1 0 25 1.828e-01 6.238e-03 6.728e-02 2.420e-03 5.224821e-01 1.263930e-03 5.945812e-03 -6.000000e+00 1.060715e-01 229.68 -2.00 3.49 -2.00 320.48 0.00e+00 1.316585e-03 4.915474e-04 7.606804e-04 -6.000000e+00 4.760520e-03 287.41 -2.00 20.00 -2.00 319.77 0.00e+00 4.206 0.001 302.00 328.00 3 1.3647e+00 3.9212e-03 4.9314e-02 -6.0000e+00 2.6423e-01 9.0344e-03 4.9704e-03 2.8336e-02 -6.0000e+00 2.8646e-01 -3.9532e-02 4.4446e-03 1.3587e-02 -6.0000e+00 1.7082e-01 9.8866e-03 2.2225e-03 4.4058e-03 -6.0000e+00 7.2360e-02 1.3113e-03 -8.3071e-04 7.1764e-05 4.6808e-05 -6.0000e+00 5.1097e-03 7.9371e-03 -2.5438e-06 10 0 0 10 0 0 99.20 18.95 0.35 0.00794 0.00169 137 42 1 5 0 332.470 22.29 15.01 18.95 27.38 10.0 985.12 -31653 -64577 -42038 -86794 -59739 -73498 -48431 -65292 -37916 -67471 -52106 -41500 -28815 -22387 -28262 -12138 -23081 -2903 -14039 -4235 -9929 -4803 -13308 -4991 -9814 -13406 -14539 -12872 -14505 -7759 -6103 -3896 1931 -5012 -6423 -9114 -3283 -4886 -670 -717 589 -359 1473 1256 1975 268 102 -410 -1367 1483 866 1451 1379 2480 2088 2379 1336 709 655 1568 1528 2775 3141 2503 1221 550 -65 353 1044 402 1283 222 1083 110 436 -785 -1614 -1283 -1164 -1673 -1284 -1956 -2300 -1236 -379 -50 683 1288 759 1191 283 -373 -106 -806 -577 -198 523 149 -112 -425 -652 -556 207 -759 -1066 -620 -327 17 598 327 30 377 593 55 78 -16 -461 -292 -663 -483 -45 203 206 433 -169 -113 943 610 612 584 243 272 233 -11 -276 -128 111 -345 -34 65 -194 -397 -238 -748 -397 -1192 -589 -867 -499 -910 -447 -1129 -873 -734 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