File name: Pandora187s1_PittsburghPA_20240406_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20240425T210833.7Z 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_20240406_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: 20240406 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 20240406T145710.6Z 8862.623039 198 1 6.74 2 46.67 126.22 49.38 167.41 0.00 1 0.00 1 0 17 1.099e-02 6.758e-03 6.805e-03 2.939e-03 2.407769e-01 1.511732e-03 2.953822e-03 -6.000000e+00 6.382673e-03 227.87 -2.00 3.49 -2.00 316.50 0.00e+00 5.908202e-04 1.775979e-04 8.505251e-05 -6.000000e+00 2.757724e-04 278.34 -2.00 20.00 -2.00 315.89 0.00e+00 1.455 0.000 302.00 328.00 3 3.3376e+00 3.9388e-03 1.8927e-02 -6.0000e+00 1.5885e-02 3.8587e-02 4.3978e-03 1.2439e-02 -6.0000e+00 1.7219e-02 -5.5635e-03 2.5764e-03 6.1338e-03 -6.0000e+00 1.0227e-02 -3.0435e-03 1.2254e-03 1.7961e-03 -6.0000e+00 4.3560e-03 3.3434e-03 -3.9285e-04 8.5435e-05 2.1939e-05 -6.0000e+00 3.0598e-04 -2.3167e-02 0.0000e+00 12 9 1 12 1 1 97.69 19.01 0.30 -0.02317 -0.02612 9 21 1 5 0 673.280 22.40 15.00 19.01 13.85 29.3 980.74 1042 -426 -1126 -3230 -4659 -327 -2110 1743 -800 -1095 -3745 1314 -2194 109 -9 895 259 365 1231 1450 696 -277 2315 1034 1063 -722 404 -1271 -171 184 1112 1102 2235 -2162 -3536 -2429 -1587 -1254 -788 -654 -1391 -584 -608 -34 42 -107 -592 -240 -873 838 856 284 922 617 958 786 1195 267 1097 571 1068 1375 1789 748 -111 -672 -770 -295 591 723 325 434 369 927 74 256 -430 -538 -321 -730 -1114 -1420 -2341 -1434 -959 -832 132 75 339 385 251 -82 -192 -132 74 41 815 515 104 -165 -670 -696 498 -65 -1053 -679 -824 -69 443 449 -165 218 386 260 103 437 -416 -321 -244 -281 -361 -68 297 209 583 -38 1021 1001 877 962 532 461 477 318 -155 -375 -106 -368 -400 -118 -592 -718 167 -75 -203 -551 -717 -46 -323 286 -148 -212 -735 253 -488 27 -3 271 74 109 376 456 223 -98 815 353 379 -270 147 -440 -60 64 406 432 845 -859 -1464 -993 -645 -595 -444 -388 -896 -388 -414 -23 28 -72 -390 -153 -549 524 566 201 684 480 761 636 974 217 868 455 884 1129 1579 696 -101 -562 -654 -248 494 679 329 452 379 903 66 223 -345 -421 -269 -640 -1091 -1521 -2479 -1585 -1133 -1046 160 93 414 476 285 -92 -198 -136 82 47 1023 660 137 -209 -850 -817 566 -79 -1299 -875 -1112 -97 652 655 -251 326 578 358 131 572 -561 -427 -348 -421 -544 -99 421 282 795 -50 1276 1300 1140 1322 761 671 713 470 -243 -610 -165 -586 -669 -190 -922 -1085 SS 20240406T162222.3Z 8862.682203 254 1 7.85 2 36.20 154.34 49.26 194.76 0.00 1 0.00 1 0 25 9.766e-03 6.963e-03 6.173e-03 3.168e-03 2.149720e-01 1.632594e-03 2.648699e-03 -6.000000e+00 5.673405e-03 227.87 -2.00 3.49 -2.00 315.98 0.00e+00 4.165543e-04 1.702548e-04 7.355178e-05 -6.000000e+00 2.451539e-04 278.35 -2.00 20.00 -2.00 315.39 0.00e+00 1.238 0.000 302.00 328.00 3 3.8654e+00 4.2325e-03 1.6466e-02 -6.0000e+00 1.4120e-02 3.9186e-02 4.7172e-03 1.1082e-02 -6.0000e+00 1.5306e-02 -3.6447e-03 2.7277e-03 5.4756e-03 -6.0000e+00 9.0910e-03 -3.0124e-03 1.2610e-03 1.5809e-03 -6.0000e+00 3.8716e-03 2.5401e-03 -5.4572e-04 9.1795e-05 2.0368e-05 -6.0000e+00 2.7202e-04 -2.2249e-02 0.0000e+00 12 9 1 12 1 1 83.50 19.01 0.46 -0.02225 -0.02635 7 14 1 5 0 979.660 22.40 15.00 19.01 15.42 29.8 992.89 -499 -1045 -1720 -2656 -2661 -1477 1066 983 171 -1214 -2261 -572 -707 -83 525 -336 520 1208 397 1214 809 1355 1750 878 700 -127 -232 -526 182 999 521 1441 2108 -1388 -3885 -2800 -2528 -828 -404 -1101 -1029 -242 -474 -535 198 -490 88 -649 -544 118 741 94 982 905 1007 915 874 304 918 848 644 1290 1673 1299 -288 -550 -726 -428 587 425 71 318 348 579 300 424 -430 -944 2 -960 -684 -1425 -2298 -1993 -917 -783 -37 350 599 427 309 -230 -505 -86 52 68 457 755 -3 -406 -318 -544 87 -183 -875 -535 -174 -287 580 533 307 122 371 131 263 28 -272 81 -335 -809 -417 -113 218 237 192 -151 1242 1137 719 962 706 472 287 590 107 -384 -207 -386 -147 -45 -550 -1084 -105 -238 -398 -574 -510 -268 200 205 39 -296 -546 -139 -190 -25 177 -113 178 423 145 452 305 503 662 351 293 -55 -99 -210 74 396 218 637 898 -613 -1641 -1282 -1156 -435 -252 -727 -730 -176 -354 -401 146 -362 63 -452 -369 80 526 71 775 746 848 784 757 261 771 714 566 1119 1555 1260 -274 -478 -638 -371 505 410 75 341 368 582 278 380 -354 -757 2 -853 -673 -1538 -2446 -2227 -1089 -989 -45 436 734 531 353 -258 -524 -88 57 76 568 949 -4 -507 -395 -627 98 -220 -1140 -679 -230 -395 835 761 452 177 539 175 345 35 -353 111 -462 -1177 -608 -162 299 308 255 -190 1496 1419 961 1263 961 654 408 877 158 -593 -326 -619 -233 -69 -817 -1673 SS 20240406T162624.5Z 8862.685006 257 1 1.44 2 35.88 155.95 49.44 196.02 0.00 1 0.00 1 0 17 1.051e-02 7.052e-03 8.774e-03 4.609e-03 2.170513e-01 2.375081e-03 2.667780e-03 -6.000000e+00 6.106477e-03 227.87 -2.00 3.49 -2.00 315.94 0.00e+00 2.336027e-04 2.431522e-04 5.375342e-05 -6.000000e+00 2.637852e-04 278.35 -2.00 20.00 -2.00 315.35 0.00e+00 1.233 0.000 302.00 328.00 3 2.7953e+00 6.1522e-03 1.6498e-02 -6.0000e+00 1.5198e-02 4.2217e-02 6.8545e-03 1.1155e-02 -6.0000e+00 1.6472e-02 -7.8588e-03 3.9570e-03 5.5120e-03 -6.0000e+00 9.7837e-03 -2.3499e-03 1.8234e-03 1.5654e-03 -6.0000e+00 4.1684e-03 7.4194e-03 -2.6378e-04 1.3285e-04 2.0034e-05 -6.0000e+00 2.9262e-04 -2.5140e-02 0.0000e+00 12 9 1 12 1 1 -50.70 19.01 0.42 -0.02514 -0.02712 3 40 1 5 0 356.900 22.40 15.00 19.01 15.68 29.7 994.47 27 -2170 -81 -4410 -2678 -2405 -982 322 1299 -1393 -1013 -2096 1601 9 718 -103 -33 1796 871 1792 -716 1193 1604 1868 82 725 -802 207 -260 1669 963 1761 1512 -1322 -3632 -1710 -733 -1567 -1159 -1157 -1319 -690 -848 -237 -102 -506 -448 -218 -109 -110 281 984 1133 1087 965 1106 928 326 812 1142 1186 1466 1409 982 -181 -489 -978 -843 406 442 271 20 231 543 407 571 -21 -745 129 -830 -1013 -1338 -2962 -1333 -940 -592 270 559 -99 186 157 -177 -189 264 84 10 109 1000 -376 -226 -372 -186 512 375 -1138 -701 -494 -336 484 493 392 21 323 189 268 530 -95 107 -389 -473 -715 153 -15 426 561 -443 607 1165 553 836 487 371 475 438 -345 -236 29 -317 -242 -256 -447 -707 6 -517 -19 -1003 -531 -456 -194 70 308 -352 -251 -536 437 3 228 -36 -12 647 327 686 -284 459 629 767 36 323 -358 85 -100 680 377 729 670 -605 -1585 -729 -341 -858 -690 -791 -973 -524 -609 -169 -79 -387 -333 -157 -76 -77 208 766 854 855 777 904 767 268 652 917 990 1313 1357 918 -178 -440 -823 -701 362 443 271 21 235 525 390 489 -18 -617 113 -762 -1037 -1387 -3288 -1533 -1079 -721 341 719 -127 224 186 -190 -203 280 89 12 132 1300 -507 -292 -447 -222 595 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