File name: Pandora187s1_PittsburghPA_20220801_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20251128T083116.4Z 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 v1.8.75 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v3d20220705.txt Level 1 file used: Pandora187s1_PittsburghPA_20220801_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: 20220801 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 20220801T163632.1Z 8248.692038 262 1 7.75 2 24.98 151.01 61.79 108.20 0.00 1 0.00 1 0 17 9.229e-03 7.109e-03 1.028e-03 7.007e-04 1.518445e-01 3.675214e-04 1.869737e-03 -6.000000e+00 5.433425e-03 232.10 -2.00 3.49 -2.00 314.95 0.00e+00 4.459700e-04 3.156158e-05 4.983018e-05 -6.000000e+00 2.420874e-04 288.93 -2.00 20.00 -2.00 314.27 0.00e+00 1.103 0.000 302.00 328.00 3 1.2375e+00 9.5052e-04 1.3436e-02 -6.0000e+00 1.3611e-02 2.0930e-02 1.0507e-03 8.0131e-03 -6.0000e+00 1.4695e-02 -1.8128e-03 6.0006e-04 3.8847e-03 -6.0000e+00 8.7532e-03 -4.7560e-03 2.6558e-04 1.1319e-03 -6.0000e+00 3.7197e-03 4.6171e-02 -1.4882e-04 2.0211e-05 1.5271e-05 -6.0000e+00 2.5776e-04 -1.7948e-03 0.0000e+00 12 9 1 12 1 1 99.51 17.56 0.37 -0.00179 -0.00291 124 231 1 5 0 60.550 20.96 15.01 17.56 32.34 20.6 1013.26 115 -429 -815 -3276 -2509 -357 549 1063 94 -1083 -1774 -87 92 535 620 -148 213 803 1049 1463 480 954 1689 1144 542 492 -216 -1040 -136 1025 1414 1491 867 -2110 -3177 -2277 -2152 -1355 -577 -821 -1183 -714 -788 -426 18 -497 -501 -614 -602 279 559 481 962 804 942 1180 885 478 624 800 1194 1411 1687 1153 -385 -520 -768 -287 549 247 204 224 502 692 112 217 -315 -474 -316 -915 -908 -1785 -2250 -1357 -872 -547 179 294 473 390 193 -461 -165 2 -51 121 884 668 -79 -310 -633 -701 13 -110 -967 -442 -523 -137 539 446 262 343 563 155 130 0 -341 -259 -322 -450 -415 -127 151 389 333 -170 986 1035 910 988 518 458 408 376 -65 -132 10 -354 -446 -112 -620 -936 38 -149 -280 -1047 -776 -105 170 363 32 -381 -609 -30 34 223 284 -72 105 402 537 765 254 497 894 634 312 289 -125 -556 -67 490 698 773 476 -1167 -1651 -1188 -1249 -836 -419 -622 -955 -590 -663 -356 15 -407 -395 -464 -477 220 427 387 804 697 827 1048 792 424 545 706 1099 1390 1637 1150 -367 -483 -665 -246 512 239 211 237 521 684 110 190 -273 -400 -286 -858 -939 -1863 -2470 -1562 -1003 -668 227 378 597 462 223 -486 -172 2 -53 137 1026 836 -101 -376 -768 -797 15 -134 -1193 -567 -700 -190 728 632 377 479 779 196 163 0 -428 -323 -435 -597 -555 -177 202 493 429 -208 1164 1266 1101 1248 674 601 550 501 -92 -193 15 -539 -672 -163 -882 -1303 SS 20220801T164315.7Z 8248.696709 266 1 46.38 2 24.40 154.58 60.63 109.51 0.00 1 0.00 1 0 17 9.304e-03 7.104e-03 2.461e-04 1.660e-04 1.500858e-01 8.733582e-05 1.849895e-03 -6.000000e+00 5.477512e-03 232.10 -2.00 3.49 -2.00 315.02 0.00e+00 4.535770e-04 7.540687e-06 5.135170e-05 -6.000000e+00 2.440657e-04 288.93 -2.00 20.00 -2.00 314.32 0.00e+00 1.098 0.000 302.00 328.00 3 1.3251e-01 2.2594e-04 1.3343e-02 -6.0000e+00 1.3722e-02 7.2576e-03 2.4977e-04 7.9311e-03 -6.0000e+00 1.4815e-02 1.7061e-04 1.4279e-04 3.8441e-03 -6.0000e+00 8.8244e-03 -5.5396e-03 6.3022e-05 1.1227e-03 -6.0000e+00 3.7497e-03 1.4120e-01 -2.4572e-04 4.7812e-06 1.5078e-05 -6.0000e+00 2.5987e-04 -1.3282e-03 0.0000e+00 11 8 0 10 0 0 31.98 17.56 0.39 -0.00133 -0.00317 2564 788 1 5 0 17.450 20.96 15.00 17.56 33.36 20.9 1021.87 287 -438 -853 -3285 -2420 -544 619 1033 256 -1020 -1719 -91 89 327 624 -18 145 714 1061 1519 436 968 1726 1256 667 547 -160 -871 -154 1075 1326 1557 887 -2181 -3315 -2387 -2145 -1239 -577 -900 -1195 -797 -792 -433 31 -452 -535 -513 -683 336 618 484 959 773 904 1160 886 442 619 916 1164 1489 1759 1171 -334 -557 -804 -325 503 223 281 273 532 721 250 233 -397 -555 -353 -960 -898 -1759 -2183 -1330 -883 -536 158 316 469 359 213 -452 -233 -46 -78 64 871 699 -69 -262 -656 -784 97 -134 -925 -488 -524 -189 498 443 279 318 535 144 102 -57 -384 -226 -314 -461 -330 -98 173 357 417 -219 915 1030 951 937 518 424 395 369 14 -159 71 -360 -381 -129 -622 -932 92 -149 -287 -1025 -730 -156 187 345 85 -350 -634 -34 33 133 279 -9 70 349 531 775 226 493 893 680 376 314 -90 -455 -74 502 642 789 476 -1182 -1690 -1221 -1218 -817 -410 -724 -945 -647 -653 -355 25 -363 -414 -413 -532 261 501 382 786 658 779 1011 779 385 532 793 1053 1441 1678 1148 -338 -510 -686 -274 461 229 286 284 544 756 241 218 -340 -463 -315 -888 -915 -1809 -2362 -1508 -1074 -645 198 401 585 420 244 -506 -240 -48 -86 72 1070 865 -87 -315 -788 -884 108 -163 -1130 -620 -696 -260 712 622 398 440 734 180 127 -69 -478 -280 -421 -648 -467 -136 230 449 534 -266 1074 1252 1224 1179 670 554 530 521 20 -232 106 -547 -571 -188 -882 -1380 SS 20220801T164832.4Z 8248.700375 269 1 46.36 2 23.99 157.48 59.72 110.55 0.00 1 0.00 1 0 17 9.291e-03 7.087e-03 2.371e-04 1.603e-04 1.501583e-01 8.432346e-05 1.854242e-03 -6.000000e+00 5.470212e-03 232.10 -2.00 3.49 -2.00 315.00 0.00e+00 4.696196e-04 7.274756e-06 5.187556e-05 -6.000000e+00 2.437309e-04 288.93 -2.00 20.00 -2.00 314.31 0.00e+00 1.094 0.000 302.00 328.00 3 7.4410e-02 2.1807e-04 1.3324e-02 -6.0000e+00 1.3703e-02 9.4720e-03 2.4102e-04 7.9465e-03 -6.0000e+00 1.4795e-02 -1.5999e-04 1.3783e-04 3.8492e-03 -6.0000e+00 8.8125e-03 -5.4360e-03 6.0995e-05 1.1272e-03 -6.0000e+00 3.7448e-03 1.5001e-01 -2.2303e-04 4.6321e-06 1.5193e-05 -6.0000e+00 2.5951e-04 -1.6551e-03 0.0000e+00 11 8 0 10 0 0 75.34 17.57 0.40 -0.00166 -0.00333 2664 818 1 5 0 16.780 20.96 14.99 17.57 34.26 20.9 1028.20 324 -447 -869 -3284 -2411 -523 522 1033 159 -1066 -1744 -124 55 355 637 10 140 750 1013 1536 444 958 1707 1190 642 531 -154 -907 -134 1058 1341 1537 864 -2151 -3315 -2387 -2191 -1278 -616 -922 -1213 -793 -797 -432 0 -479 -539 -502 -700 315 635 483 968 782 900 1143 879 427 628 878 1153 1466 1759 1172 -328 -521 -786 -325 495 212 286 269 541 697 254 249 -427 -534 -364 -969 -897 -1761 -2162 -1337 -891 -534 139 333 447 353 217 -470 -235 -31 -98 72 864 694 -63 -253 -645 -737 87 -146 -928 -486 -517 -178 488 473 264 304 536 181 106 -33 -373 -230 -299 -473 -326 -99 170 363 419 -226 915 1024 944 942 512 422 386 374 -11 -194 56 -379 -398 -159 -615 -937 104 -153 -295 -1034 -734 -152 159 348 53 -369 -590 -46 20 146 288 5 68 370 511 791 232 492 890 650 365 308 -87 -477 -65 498 653 785 468 -1174 -1703 -1230 -1254 -778 -441 -690 -966 -647 -662 -357 0 -387 -420 -407 -549 245 518 383 798 669 781 1003 778 375 543 765 1050 1428 1688 1156 -334 -479 -674 -276 457 219 293 282 557 683 246 216 -367 -447 -327 -901 -919 -1821 -2351 -1525 -1017 -646 175 425 560 416 250 -491 -244 -32 -109 82 1067 862 -80 -306 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