File name: Pandora55s1_QueensNY_20241014_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241015T044909.4Z 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 v1.8.60 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20241014_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: 20241014 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 20241014T141708.6Z 9053.595239 236 1 34.82 2 59.33 137.46 149.23 1.11 0.00 1 0.00 1 0 17 1.488e-02 6.661e-03 3.303e-03 1.208e-03 2.846123e-01 6.287092e-04 3.471095e-03 -6.000000e+00 8.788485e-03 225.97 -2.00 3.51 -2.00 316.94 0.00e+00 -1.347446e-04 8.441633e-05 7.901968e-05 -6.000000e+00 3.945169e-04 284.34 -2.00 20.00 -2.00 316.20 0.00e+00 1.952 0.000 302.00 328.00 3 3.6232e+00 1.6418e-03 2.4348e-02 -6.0000e+00 2.1713e-02 2.0015e-02 1.8419e-03 1.4576e-02 -6.0000e+00 2.3543e-02 -6.2379e-05 1.0896e-03 7.2084e-03 -6.0000e+00 1.4061e-02 -3.6686e-03 5.2712e-04 2.0305e-03 -6.0000e+00 5.9898e-03 1.4129e-03 -5.0308e-04 3.7303e-05 2.6646e-05 -6.0000e+00 4.4680e-04 -1.1444e-02 0.0000e+00 12 9 1 12 1 1 99.99 23.35 0.15 -0.01144 -0.01522 63 18 1 5 0 543.820 27.15 20.02 23.35 22.40 37.4 1027.39 900000 -5523 4187 -9278 -1561 -1198 -1546 4804 3111 -331 -3794 1078 -2233 183 2546 -729 -2511 842 2528 2112 -1762 290 925 -922 575 -1051 2156 -1856 448 -432 1344 1167 1688 -1126 -904 1473 -352 -45 327 391 -1753 -646 -1571 -1102 -1292 259 -1406 -494 -995 755 638 624 412 1338 1101 437 1706 417 929 510 950 1501 1102 326 -323 -513 395 87 1024 1016 169 -88 -260 -599 -309 -343 625 655 1081 141 -231 -299 -1677 -1374 -1301 -1072 -1084 -560 -431 -448 -349 121 312 1243 1451 1268 957 820 -181 -525 -370 -554 -277 768 303 -724 -154 -691 -169 201 -105 -422 -197 -37 -195 413 712 837 528 77 -822 -399 -211 -62 -33 288 355 1165 1005 255 529 40 431 184 368 -137 -173 118 -380 -557 -346 -335 -170 130 900000 -743 543 -1334 -196 -141 -184 585 428 -50 -609 168 -383 34 530 -172 -641 218 669 578 -511 84 267 -279 180 -349 708 -618 140 -132 408 375 581 -414 -332 517 -127 -18 145 197 -987 -383 -966 -688 -810 161 -879 -303 -605 452 389 396 275 925 787 321 1268 315 697 380 707 1141 882 276 -284 -449 330 70 815 850 152 -84 -254 -584 -293 -311 529 523 845 115 -202 -282 -1694 -1443 -1417 -1211 -1275 -678 -531 -551 -421 140 340 1287 1480 1338 1073 981 -231 -694 -486 -706 -336 901 361 -903 -199 -919 -231 282 -153 -635 -299 -55 -281 570 946 1105 712 107 -1199 -589 -311 -90 -46 397 477 1514 1306 342 741 58 637 276 562 -216 -281 196 -638 -942 -580 -551 -273 207 SS 20241014T142609.4Z 9053.601497 239 1 50.54 2 58.20 139.71 149.10 5.23 0.00 1 0.00 1 0 25 9.259e-03 6.483e-03 5.633e-04 2.425e-04 2.749716e-01 1.257929e-04 3.369558e-03 -6.000000e+00 5.465646e-03 225.97 -2.00 3.51 -2.00 316.51 0.00e+00 -6.696375e-06 1.528476e-05 6.933103e-05 -6.000000e+00 2.448300e-04 284.34 -2.00 20.00 -2.00 315.79 0.00e+00 1.891 0.000 302.00 328.00 3 9.8172e-01 3.2636e-04 2.3550e-02 -6.0000e+00 1.3503e-02 4.1942e-04 3.6517e-04 1.4066e-02 -6.0000e+00 1.4634e-02 -3.8493e-03 2.1220e-04 6.9605e-03 -6.0000e+00 8.7482e-03 -1.8649e-03 9.9924e-05 1.9625e-03 -6.0000e+00 3.7054e-03 2.1490e-02 -5.5497e-04 7.4156e-06 2.6163e-05 -6.0000e+00 2.7612e-04 -1.0560e-02 0.0000e+00 11 8 0 10 0 0 99.99 23.34 0.20 -0.01056 -0.01473 986 186 1 5 0 51.140 27.15 20.00 23.34 23.32 37.5 1033.37 -1179 -2479 -2839 -4375 -2698 -1453 79 521 668 -1225 -862 510 758 764 491 -224 -455 98 321 631 -189 766 1353 914 548 250 -432 -870 236 1173 1375 1547 1676 -914 -919 -20 92 406 555 -351 -1226 -997 -1145 -1028 -861 -588 -993 -735 -690 346 786 551 868 786 643 541 855 293 611 755 1347 1332 1156 678 -567 -190 -1 349 1325 1008 144 -196 -710 -551 -765 -289 130 428 1336 366 131 -642 -1428 -1372 -1064 -1090 -769 -567 -492 -657 -244 244 357 1366 1513 1416 862 867 -253 -567 -434 -544 -92 743 143 -842 -335 -775 -153 -70 -80 -316 -274 -133 -74 560 855 835 651 -54 -653 -511 -302 -344 105 223 408 1379 1201 497 527 41 282 145 309 -224 -249 96 -418 -498 -299 -217 -282 111 -175 -418 -505 -774 -434 -214 11 83 118 -239 -172 102 162 172 127 -65 -134 30 102 207 -64 262 462 324 194 93 -165 -326 88 415 489 588 647 -384 -385 -8 37 182 278 -198 -749 -625 -751 -689 -579 -394 -664 -481 -443 218 503 374 598 574 491 407 657 229 473 575 1072 1050 980 597 -507 -167 -1 293 1095 860 132 -187 -710 -547 -731 -266 112 353 1105 307 117 -623 -1473 -1454 -1144 -1250 -904 -678 -604 -806 -298 286 398 1449 1565 1482 959 1032 -323 -742 -564 -691 -111 882 169 -1032 -434 -1022 -209 -98 -116 -466 -411 -194 -104 773 1146 1105 863 -74 -927 -746 -439 -502 146 307 552 1769 1534 672 738 59 406 214 473 -350 -398 154 -688 -827 -489 -353 -442 173 SS 20241014T143306.9Z 9053.606330 243 1 50.60 2 57.37 141.49 148.92 8.38 0.00 1 0.00 1 0 25 9.050e-03 6.469e-03 4.675e-04 2.111e-04 2.698142e-01 1.099788e-04 3.312970e-03 -6.000000e+00 5.341792e-03 225.97 -2.00 3.51 -2.00 316.37 0.00e+00 -1.467998e-05 1.287190e-05 5.537102e-05 -6.000000e+00 2.392993e-04 284.33 -2.00 20.00 -2.00 315.65 0.00e+00 1.848 0.000 302.00 328.00 3 7.6837e-01 2.8468e-04 2.3054e-02 -6.0000e+00 1.3197e-02 4.5636e-04 3.1830e-04 1.3802e-02 -6.0000e+00 1.4303e-02 -4.8104e-03 1.8447e-04 6.8330e-03 -6.0000e+00 8.5503e-03 -1.1391e-03 8.6078e-05 1.9272e-03 -6.0000e+00 3.6210e-03 2.7964e-02 -7.2772e-04 6.4698e-06 2.6387e-05 -6.0000e+00 2.6989e-04 -9.6254e-03 0.0000e+00 11 8 0 10 0 0 86.77 23.35 0.22 -0.00963 -0.01509 1181 223 1 5 0 42.690 27.15 20.02 23.35 24.34 37.8 1039.41 -1264 -2073 -2831 -4112 -2652 -1328 -42 366 892 -1116 -737 561 811 666 594 -249 -502 -124 319 670 -301 794 1086 967 599 202 -451 -846 235 1181 1476 1465 1772 -827 -866 -26 189 466 548 -352 -1204 -988 -1095 -1050 -820 -612 -964 -767 -728 353 783 619 908 794 655 625 843 271 592 786 1328 1293 1196 663 -595 -209 16 414 1298 970 193 -175 -689 -521 -797 -235 167 391 1305 351 89 -646 -1443 -1371 -1062 -1086 -786 -579 -450 -636 -231 272 371 1300 1471 1364 896 841 -286 -576 -453 -555 -85 700 140 -827 -349 -814 -154 -57 -54 -302 -291 -84 -41 576 849 877 692 1 -592 -457 -324 -306 126 253 400 1407 1191 494 561 12 245 149 282 -254 -266 116 -425 -491 -302 -215 -256 77 -200 -371 -536 -772 -453 -208 -6 62 167 -230 -155 119 183 158 162 -77 -155 -40 106 230 -108 283 389 358 221 79 -180 -330 91 435 545 578 708 -359 -375 -11 79 216 283 -205 -759 -639 -740 -725 -568 -423 -663 -516 -480 228 514 430 640 593 488 481 662 216 469 612 1031 1041 991 595 -543 -187 14 339 1091 841 180 -170 -700 -526 -774 -220 147 328 1046 298 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