File name: Pandora187s1_PittsburghPA_20220210_L2Fit_fout2c2d20210902p1-8.txt File generation date: 20251128T082305.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 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_v2d20210902.txt Level 1 file used: Pandora187s1_PittsburghPA_20220210_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: 20220210 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 20220210T164327.1Z 8076.696841 271 1 42.58 2 55.91 165.14 96.71 51.30 0.00 1 0.00 1 0 25 1.632e-02 6.509e-03 8.825e-04 2.261e-04 3.116679e-01 1.140953e-04 3.790609e-03 -6.000000e+00 9.319432e-03 224.63 -2.00 3.49 -2.00 317.62 0.00e+00 7.142085e-04 1.757935e-05 1.308851e-04 -6.000000e+00 4.020996e-04 274.03 -2.00 20.00 -2.00 317.05 0.00e+00 1.779 0.000 302.00 328.00 3 -4.1304e-01 3.0105e-04 2.3466e-02 -6.0000e+00 2.3052e-02 8.6870e-03 3.3918e-04 1.5859e-02 -6.0000e+00 2.5109e-02 -5.9145e-03 2.1220e-04 7.9007e-03 -6.0000e+00 1.4913e-02 -2.6656e-03 1.0783e-04 2.3336e-03 -6.0000e+00 6.3334e-03 9.5124e-02 -4.8639e-04 6.5898e-06 2.7110e-05 -6.0000e+00 4.5493e-04 -1.9383e-02 -7.7690e-06 11 8 0 10 0 0 9.73 18.61 0.28 -0.01938 -0.02304 2503 769 1 5 0 16.430 21.98 14.99 18.61 10.57 14.5 977.54 -3191 -3199 -4041 -6651 -6551 -5130 -3820 -3351 -3835 -4820 -5319 -3304 -2183 -873 -129 -324 246 652 1104 1317 408 1045 1541 897 319 6 -735 -1604 -933 449 868 1379 326 -2605 -3645 -2999 -2248 -1202 -440 -621 -738 -335 -357 230 546 102 13 -187 -251 663 838 774 1216 929 1108 1243 937 516 681 1020 1375 1742 1931 1117 -174 -354 -760 -84 405 146 302 132 452 476 171 154 -557 -621 -609 -1113 -1049 -2000 -2268 -1520 -989 -480 170 369 506 502 298 -360 -146 -133 -236 52 767 497 -150 -298 -717 -599 244 -281 -928 -458 -473 -2 540 426 162 268 478 191 251 68 -265 -221 -446 -524 -218 0 269 410 244 -164 1055 912 866 840 458 430 363 214 -125 -173 6 -417 -357 -133 -558 -708 -265 -287 -368 -569 -508 -391 -312 -306 -387 -508 -564 -371 -280 -129 -22 -59 47 131 229 282 89 226 346 215 81 2 -189 -388 -215 105 221 383 99 -801 -1067 -899 -755 -431 -187 -302 -385 -181 -198 127 301 56 7 -100 -134 363 493 447 741 596 727 833 635 345 446 673 956 1315 1579 957 -145 -274 -565 -63 340 126 279 124 412 408 144 117 -397 -448 -489 -1019 -989 -2071 -2480 -1625 -1129 -578 211 463 619 576 337 -377 -145 -137 -267 61 992 651 -199 -377 -898 -695 281 -349 -1237 -594 -644 -3 819 646 255 412 737 273 333 95 -358 -318 -686 -777 -341 1 393 568 323 -222 1400 1203 1235 1272 723 649 569 355 -207 -295 11 -733 -614 -232 -941 -1162 SS 20220210T164906.9Z 8076.700774 275 1 42.33 2 55.65 166.77 95.89 52.24 0.00 1 0.00 1 0 25 1.620e-02 6.473e-03 8.850e-04 2.272e-04 3.097770e-01 1.143096e-04 3.755841e-03 -6.000000e+00 9.256727e-03 224.63 -2.00 3.49 -2.00 317.63 0.00e+00 6.871333e-04 1.769231e-05 1.361434e-04 -6.000000e+00 3.993657e-04 274.03 -2.00 20.00 -2.00 317.07 0.00e+00 1.767 0.000 302.00 328.00 3 -4.0981e-01 3.0144e-04 2.3295e-02 -6.0000e+00 2.2897e-02 7.6260e-03 3.3975e-04 1.5735e-02 -6.0000e+00 2.4939e-02 -5.2492e-03 2.1276e-04 7.8363e-03 -6.0000e+00 1.4812e-02 -2.9030e-03 1.0834e-04 2.3149e-03 -6.0000e+00 6.2912e-03 9.6204e-02 -3.5224e-04 6.6155e-06 2.6700e-05 -6.0000e+00 4.5179e-04 -1.9355e-02 2.5311e-05 11 8 0 10 0 0 98.92 18.61 0.28 -0.01935 -0.02200 2624 806 1 5 0 15.580 21.98 15.00 18.61 11.17 14.6 982.35 -3143 -2974 -4061 -6432 -6791 -4688 -4244 -2918 -3925 -4570 -5591 -3204 -2425 -974 -172 -247 219 609 1201 1238 473 959 1620 904 453 -49 -634 -1566 -880 464 866 1327 290 -2584 -3576 -2851 -2312 -1112 -564 -626 -803 -336 -347 257 564 84 27 -197 -245 664 843 737 1178 872 1180 1220 942 458 705 1026 1342 1679 1954 1087 -207 -356 -719 -73 392 153 230 146 430 533 178 205 -520 -594 -655 -1119 -1019 -2003 -2231 -1502 -1004 -508 192 364 497 465 288 -342 -120 -118 -206 50 759 484 -157 -304 -733 -563 219 -282 -931 -452 -492 9 547 410 157 272 487 207 251 54 -253 -237 -437 -537 -211 -9 254 397 255 -131 1064 955 861 864 460 444 382 227 -146 -168 -10 -432 -373 -125 -576 -705 -262 -268 -371 -552 -530 -357 -350 -267 -398 -482 -597 -360 -313 -144 -29 -45 42 122 249 265 103 207 363 217 114 -13 -163 -379 -202 109 220 367 87 -791 -1043 -850 -774 -397 -240 -303 -417 -181 -191 141 309 46 15 -105 -130 362 493 462 714 556 769 813 634 305 459 673 927 1260 1586 925 -171 -273 -530 -55 326 132 210 136 389 490 149 154 -368 -425 -521 -1015 -952 -2054 -2416 -1590 -1135 -606 236 452 603 528 324 -353 -118 -120 -230 58 971 628 -207 -409 -908 -647 249 -346 -1228 -621 -662 12 821 615 243 413 741 291 353 75 -362 -337 -664 -839 -326 -13 367 544 357 -175 1395 1333 1212 1291 717 706 591 372 -253 -282 -18 -749 -671 -216 -960 -1143 SS 20220210T165800.1Z 8076.706946 281 1 42.42 2 55.30 169.35 94.57 53.70 0.00 1 0.00 1 0 25 1.597e-02 6.515e-03 8.364e-04 2.206e-04 3.075721e-01 1.111142e-04 3.736802e-03 -6.000000e+00 9.122612e-03 224.63 -2.00 3.49 -2.00 317.57 0.00e+00 7.091917e-04 1.691457e-05 1.295805e-04 -6.000000e+00 3.936066e-04 274.03 -2.00 20.00 -2.00 317.01 0.00e+00 1.751 0.000 302.00 328.00 3 -4.3918e-01 2.9307e-04 2.3118e-02 -6.0000e+00 2.2565e-02 8.8890e-03 3.3016e-04 1.5635e-02 -6.0000e+00 2.4579e-02 -5.7410e-03 2.0575e-04 7.7861e-03 -6.0000e+00 1.4598e-02 -2.7206e-03 1.0428e-04 2.2970e-03 -6.0000e+00 6.1997e-03 1.0082e-01 -4.9063e-04 6.4226e-06 2.6698e-05 -6.0000e+00 4.4532e-04 -1.9422e-02 -8.8236e-06 11 8 0 10 0 0 20.08 18.61 0.28 -0.01942 -0.02311 2648 813 1 5 0 15.420 21.98 15.00 18.61 11.99 14.7 988.66 -3071 -3155 -3933 -6737 -6394 -4877 -3596 -3037 -3509 -4799 -5232 -3197 -2211 -883 -56 -259 260 703 1010 1345 387 1161 1555 1000 311 42 -710 -1531 -906 488 855 1316 353 -2590 -3531 -2884 -2219 -1202 -469 -645 -732 -347 -304 222 582 43 -25 -168 -275 683 844 771 1208 900 1126 1224 936 471 669 1062 1374 1704 1916 1089 -164 -398 -727 -97 406 159 298 148 451 487 176 141 -561 -625 -607 -1129 -1025 -1999 -2280 -1482 -1004 -501 168 353 496 493 276 -365 -130 -144 -226 32 785 496 -140 -293 -714 -608 243 -280 -929 -448 -482 7 524 412 150 276 498 175 242 71 -236 -215 -452 -514 -218 0 277 397 258 -169 1075 941 844 823 451 425 365 219 -138 -172 10 -438 -357 -128 -555 -739 -265 -294 -371 -598 -513 -384 -303 -286 -365 -522 -572 -369 -292 -134 -10 -49 51 144 215 295 86 256 357 245 81 11 -186 -378 -213 117 222 371 108 -808 -1049 -877 -756 -437 -203 -318 -387 -190 -170 124 324 24 -14 -91 -148 378 501 449 742 581 745 826 638 317 442 706 962 1295 1576 938 -137 -308 -542 -74 342 138 276 139 412 418 149 108 -402 -452 -487 -1033 -966 -2069 -2492 -1583 -1145 -602 209 443 607 565 312 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