File name: Pandora55s1_QueensNY_20230627_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T114901.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20230627_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20230627 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20230627T163425.1Z 8578.690568 281 1 21.39 2 18.14 162.06 110.70 82.60 0.00 1 0.00 1 0 17 1.061e-02 7.169e-03 3.075e-03 2.169e-03 1.520413e-01 1.167855e-03 1.832787e-03 -6.000000e+00 6.418487e-03 232.90 -2.00 3.51 -2.00 314.75 0.00e+00 -7.880983e-05 9.646516e-05 1.969580e-05 -6.000000e+00 2.845931e-04 287.87 -2.00 20.00 -2.00 314.10 0.00e+00 1.052 0.000 302.00 328.00 3 5.2909e+00 3.0184e-03 1.3258e-02 -6.0000e+00 1.6105e-02 1.8366e-02 3.3305e-03 7.9336e-03 -6.0000e+00 1.7361e-02 9.7853e-03 1.9010e-03 3.8460e-03 -6.0000e+00 1.0341e-02 -3.1830e-03 8.1740e-04 1.0521e-03 -6.0000e+00 4.3285e-03 8.1105e-04 -2.1227e-04 6.6249e-05 1.5598e-05 -6.0000e+00 3.1697e-04 -2.8977e-03 0.0000e+00 12 9 1 12 1 1 99.99 22.65 0.28 -0.00290 -0.00449 15 7 1 5 0 1326.150 25.90 20.00 22.65 29.74 35.6 1100.00 -2644 -3043 1103 -5581 -817 760 727 3793 1221 -907 -1666 629 187 370 1763 101 -860 642 2211 1060 349 800 1865 -134 618 -515 1561 -1085 -716 -407 996 1942 1157 -2103 -1344 1372 -649 -73 710 212 -1408 -471 -1505 -1271 -1012 50 -1589 -832 -391 536 367 103 365 1288 1209 269 1427 658 959 642 991 1755 869 101 -310 -807 550 -181 999 1104 -196 -87 -73 -715 362 -517 126 761 846 -735 -186 -424 -1131 -1157 -1379 -1054 -879 -197 -566 -457 36 125 -206 852 724 654 309 407 -358 -170 -265 -648 -492 847 -36 -696 -262 -994 275 722 468 -210 42 -62 -92 273 674 663 596 -299 -759 -141 180 385 667 -38 -90 1248 888 135 648 -36 334 121 239 -348 156 368 -398 -647 -385 -185 -342 -366 -927 -1142 409 -2111 -276 237 227 1235 442 -349 -648 239 74 156 795 49 -435 326 1126 556 187 429 993 -74 348 -302 905 -624 -391 -212 507 1006 629 -1195 -751 727 -353 -43 462 155 -1119 -389 -1274 -1088 -864 42 -1342 -684 -312 419 287 83 303 1098 1054 239 1276 594 860 574 889 1602 832 101 -316 -808 517 -163 881 1016 -194 -90 -78 -759 374 -514 117 661 712 -639 -171 -417 -1177 -1247 -1536 -1219 -1059 -244 -715 -575 44 146 -229 889 737 683 340 473 -439 -214 -332 -785 -571 957 -42 -844 -329 -1285 362 968 646 -297 59 -86 -122 342 812 793 729 -383 -1013 -192 244 515 872 -48 -111 1486 1051 164 812 -46 434 159 320 -480 221 531 -584 -956 -564 -268 -486 -515 SS 20230627T164401.7Z 8578.697242 287 1 5.15 2 17.69 169.08 108.98 84.23 0.00 1 0.00 1 0 17 8.116e-03 6.579e-03 2.179e-03 1.680e-03 1.519796e-01 9.112989e-04 1.857025e-03 -6.000000e+00 4.910514e-03 232.90 -2.00 3.51 -2.00 314.25 0.00e+00 -5.794846e-05 6.882500e-05 2.506113e-05 -6.000000e+00 2.177187e-04 287.87 -2.00 20.00 -2.00 313.66 0.00e+00 1.049 0.000 302.00 328.00 3 3.4667e+00 2.3446e-03 1.3260e-02 -6.0000e+00 1.2321e-02 1.0837e-02 2.5801e-03 7.9700e-03 -6.0000e+00 1.3281e-02 1.1531e-03 1.4778e-03 3.8726e-03 -6.0000e+00 7.9115e-03 -1.4233e-03 6.2788e-04 1.0601e-03 -6.0000e+00 3.3120e-03 5.0749e-03 -2.7731e-04 5.1219e-05 1.6450e-05 -6.0000e+00 2.4247e-04 -3.7905e-03 0.0000e+00 12 9 1 12 1 1 98.87 22.64 0.19 -0.00379 -0.00587 9 19 1 5 0 497.710 26.00 19.98 22.64 30.73 35.5 1100.00 -363 -1621 -1511 -2707 -2085 624 984 2295 764 -718 -703 847 1128 619 657 -231 105 -217 720 612 462 593 792 121 760 -167 -210 -733 512 1170 1159 1877 1656 -822 -1255 641 68 295 244 -757 -1008 -872 -1360 -1365 -1242 -779 -921 -633 -439 54 764 304 694 973 525 880 398 451 435 968 1211 1431 1321 188 -586 -349 189 -71 1304 697 8 -540 -172 -595 -732 37 214 607 948 303 101 -822 -1789 -1128 -1186 -721 -614 -559 -60 -476 -285 -8 162 1212 1262 845 732 635 -345 -535 -151 -444 -50 792 318 -486 -395 -631 -219 -47 148 -244 -288 -24 -174 293 819 815 492 37 -567 -448 -76 -344 260 148 246 1396 987 317 376 120 290 325 352 -228 27 109 -497 -621 -99 -144 -434 -217 -149 -708 -672 -1179 -853 236 371 907 327 -322 -318 376 513 299 340 -126 59 -124 412 357 272 351 469 73 469 -106 -134 -458 305 667 655 1076 985 -506 -767 376 40 187 170 -581 -826 -741 -1182 -1197 -1088 -678 -796 -535 -363 44 619 253 592 852 470 794 365 415 399 879 1104 1331 1273 189 -599 -350 181 -65 1173 652 8 -561 -182 -629 -760 37 202 541 820 268 95 -815 -1865 -1211 -1310 -823 -726 -681 -74 -588 -344 -10 178 1264 1290 883 798 728 -416 -663 -185 -530 -57 889 364 -581 -488 -797 -282 -62 199 -336 -397 -32 -226 362 974 963 594 46 -739 -596 -101 -453 334 185 300 1646 1159 380 465 152 371 419 460 -308 38 153 -709 -893 -142 -203 -602 -298 SS 20230627T164909.8Z 8578.700808 290 1 49.49 2 17.54 172.95 108.06 85.08 0.00 1 0.00 1 0 17 8.225e-03 6.341e-03 8.786e-04 6.230e-04 1.506390e-01 3.356438e-04 1.830078e-03 -6.000000e+00 4.976204e-03 232.90 -2.00 3.51 -2.00 314.73 0.00e+00 3.992284e-05 2.760739e-05 2.663212e-05 -6.000000e+00 2.206368e-04 287.87 -2.00 20.00 -2.00 314.08 0.00e+00 1.049 0.000 302.00 328.00 3 3.7352e+00 8.6736e-04 1.3202e-02 -6.0000e+00 1.2486e-02 1.1168e-02 9.5673e-04 7.8943e-03 -6.0000e+00 1.3459e-02 5.3880e-03 5.4622e-04 3.8304e-03 -6.0000e+00 8.0175e-03 -3.8009e-03 2.3467e-04 1.0498e-03 -6.0000e+00 3.3561e-03 3.8869e-03 -2.4118e-04 1.9094e-05 1.5721e-05 -6.0000e+00 2.4573e-04 -3.3968e-03 0.0000e+00 10 0 0 10 0 0 99.99 22.65 0.21 -0.00340 -0.00521 262 50 1 5 0 188.840 26.00 19.98 22.65 31.00 35.5 1100.00 -1080 -1539 -2030 -3158 -1246 800 1390 1983 1471 -332 -116 881 1001 715 909 -369 -703 -154 681 744 191 892 1193 514 408 31 -439 -701 67 1056 1346 1631 1551 -1229 -468 297 281 347 656 -497 -1275 -1022 -1387 -1159 -1071 -826 -1246 -902 -794 368 565 466 576 850 680 597 834 386 683 792 1435 1305 1206 272 -435 -459 36 183 1166 849 51 -85 -557 -536 -519 -287 133 502 1317 361 25 -440 -1338 -1138 -984 -951 -646 -464 -367 -584 -76 141 121 1016 1194 1163 729 774 -286 -349 -311 -374 6 784 -18 -641 -292 -745 -188 -68 -15 -372 -191 -89 -66 350 689 617 710 -33 -581 -357 -208 -114 302 316 381 1331 990 302 511 -22 240 78 197 -266 -209 119 -311 -433 -236 -161 -298 -66 -380 -578 -783 -1187 -430 254 439 663 538 -129 -45 337 395 304 416 -181 -357 -79 353 393 103 482 641 283 232 18 -258 -404 36 547 685 852 845 -696 -261 159 153 202 428 -363 -1010 -843 -1170 -989 -913 -701 -1049 -741 -635 287 441 374 479 724 593 529 749 348 613 705 1278 1193 1151 271 -443 -458 34 164 1023 781 51 -88 -589 -566 -537 -285 123 436 1106 311 23 -432 -1389 -1224 -1090 -1097 -773 -573 -460 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