File name: Pandora55s1_QueensNY_20230930_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20231002T091041.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20230930_L1_smca1c17d20220526p1-8.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: 20230930 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: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20230930T173244.7Z 8673.731073 453 1 50.18 2 44.96 196.89 130.06 353.76 0.00 1 0.00 1 0 17 1.237e-02 7.608e-03 2.321e-03 1.542e-03 1.763380e-01 8.150861e-04 2.157833e-03 -6.000000e+00 7.343125e-03 227.59 -2.00 3.51 -2.00 315.11 0.00e+00 9.516972e-05 7.300813e-05 3.405581e-05 -6.000000e+00 3.303411e-04 286.14 -2.00 20.00 -2.00 314.45 0.00e+00 1.411 0.000 302.00 328.00 3 5.0377e+00 2.0881e-03 1.6732e-02 -6.0000e+00 1.8198e-02 3.2418e-02 2.3188e-03 9.0628e-03 -6.0000e+00 1.9710e-02 5.6266e-03 1.3270e-03 4.4455e-03 -6.0000e+00 1.1770e-02 -2.9259e-03 5.8596e-04 1.2492e-03 -6.0000e+00 4.9987e-03 7.0576e-04 3.7541e-04 4.7327e-05 1.8308e-05 -6.0000e+00 3.7155e-04 1.1747e-02 0.0000e+00 12 9 1 12 45 1 99.96 19.61 0.24 0.01175 0.01457 16 3 1 5 0 2951.090 26.00 19.97 19.61 23.09 36.2 1032.47 -2686 -2307 -5190 -1224 2534 254 5147 1507 -1121 -1762 199 86 356 3046 -830 -2375 -1538 3111 1994 2468 1181 1702 -1499 376 -189 2280 -1030 -406 440 929 2181 603 -2512 -1131 2415 -683 -976 -886 -251 -1729 -599 -1654 -1274 -1138 106 -1582 117 -613 -549 230 202 151 1933 1054 872 1551 647 1312 835 1281 1741 1007 -264 -278 -85 695 -424 1190 969 -129 13 -96 -652 -116 -418 101 676 543 -814 -846 -119 -1429 -998 -1295 -715 -1179 -339 -581 -195 34 -196 25 1160 730 1095 438 700 -285 -319 -536 -667 -179 1019 332 -466 -309 -734 59 422 290 -411 167 -202 -333 241 226 48 588 -121 -741 -295 441 502 115 243 56 734 519 273 562 509 493 472 527 -85 -12 146 -28 -895 -233 -473 -546 -184 -877 -769 -1721 -366 689 71 1467 481 -383 -609 68 31 136 1240 -371 -1111 -729 1451 960 1201 583 838 -771 197 -102 1220 -550 -207 213 445 1070 313 -1366 -603 1217 -356 -550 -557 -175 -1311 -471 -1339 -1040 -929 86 -1280 92 -472 -417 175 158 123 1598 896 754 1353 569 1145 727 1117 1549 939 -258 -276 -83 642 -377 1039 885 -126 14 -101 -682 -118 -410 93 583 457 -706 -784 -116 -1486 -1072 -1439 -821 -1414 -417 -728 -243 42 -229 28 1209 748 1148 484 817 -352 -404 -675 -813 -209 1157 387 -567 -389 -949 78 570 402 -586 237 -281 -445 306 277 58 732 -156 -1002 -405 604 679 153 313 70 889 627 338 718 667 654 633 720 -120 -17 215 -42 -1350 -348 -697 -790 -263 SS 20230930T174237.6Z 8673.737936 459 1 50.49 2 45.56 200.26 130.16 356.80 0.00 1 0.00 1 0 17 8.228e-03 6.311e-03 6.728e-04 4.295e-04 1.770782e-01 2.267267e-04 2.171149e-03 -6.000000e+00 4.886352e-03 227.59 -2.00 3.51 -2.00 315.30 0.00e+00 -2.097385e-05 2.109233e-05 3.373679e-05 -6.000000e+00 2.197612e-04 286.14 -2.00 20.00 -2.00 314.63 0.00e+00 1.426 0.000 302.00 328.00 3 2.5112e+00 5.8200e-04 1.6883e-02 -6.0000e+00 1.2110e-02 1.3904e-02 6.4623e-04 9.1128e-03 -6.0000e+00 1.3114e-02 4.5930e-03 3.6982e-04 4.4708e-03 -6.0000e+00 7.8313e-03 -3.8646e-03 1.6464e-04 1.2516e-03 -6.0000e+00 3.3274e-03 8.7663e-03 4.8821e-04 1.3216e-05 1.8298e-05 -6.0000e+00 2.4717e-04 9.3856e-03 0.0000e+00 11 1 0 11 4 0 99.99 19.62 0.17 0.00939 0.01305 605 114 1 5 0 83.420 26.00 20.02 19.62 23.43 36.1 1034.54 -1794 -2522 -3286 -1520 -40 987 1599 1032 -483 5 741 982 225 639 -479 -410 -6 539 480 -99 940 1084 793 398 161 -411 -532 431 1367 1291 1683 1392 -970 -438 287 423 246 408 -684 -1343 -1058 -1355 -1158 -1015 -690 -1122 -748 -711 348 541 594 817 828 609 535 859 323 764 848 1448 1186 1126 510 -570 -270 -22 415 1218 886 -9 -215 -616 -436 -657 -185 182 453 1205 307 -21 -684 -1391 -1208 -1019 -943 -665 -505 -446 -584 -113 206 234 1115 1321 1291 766 734 -305 -416 -386 -522 -27 768 146 -694 -239 -756 -123 -68 -23 -324 -263 -183 -175 457 674 808 689 101 -557 -272 -265 -264 210 186 467 1288 979 409 619 20 200 97 263 -222 -152 131 -399 -434 -271 -231 -311 -35 -547 -796 -1005 -417 -11 261 424 306 -154 2 235 325 83 244 -202 -181 -3 248 227 -48 455 524 394 195 82 -213 -266 213 632 589 798 702 -487 -229 143 213 130 253 -472 -988 -830 -1046 -906 -794 -535 -861 -585 -537 253 396 454 659 663 506 455 740 282 658 721 1232 1052 1014 492 -573 -263 -21 360 1031 806 -9 -214 -636 -447 -683 -178 166 395 996 266 -19 -660 -1470 -1288 -1142 -1076 -808 -618 -560 -732 -136 239 258 1173 1342 1365 843 848 -371 -529 -485 -646 -31 883 174 -854 -297 -989 -166 -92 -33 -460 -375 -261 -232 576 832 985 873 131 -744 -375 -365 -356 281 238 591 1540 1218 509 813 26 270 133 372 -318 -228 196 -611 -670 -412 -341 -465 -52 SS 20230930T174725.1Z 8673.741263 462 1 50.41 2 45.89 201.87 130.17 358.27 0.00 1 0.00 1 0 17 1.270e-02 7.269e-03 2.471e-03 1.505e-03 1.781748e-01 7.926182e-04 2.161536e-03 -6.000000e+00 7.539241e-03 227.59 -2.00 3.51 -2.00 315.48 0.00e+00 -1.090066e-04 7.652514e-05 4.049142e-05 -6.000000e+00 3.391369e-04 286.14 -2.00 20.00 -2.00 314.79 0.00e+00 1.435 0.000 302.00 328.00 3 4.9320e+00 2.0385e-03 1.6959e-02 -6.0000e+00 1.8685e-02 2.0992e-02 2.2679e-03 9.1231e-03 -6.0000e+00 2.0236e-02 1.1491e-02 1.2993e-03 4.4708e-03 -6.0000e+00 1.2084e-02 -6.5730e-03 5.8094e-04 1.2490e-03 -6.0000e+00 5.1327e-03 7.6692e-04 4.9278e-04 4.6415e-05 1.7756e-05 -6.0000e+00 3.8144e-04 1.1121e-02 0.0000e+00 11 9 0 11 4 0 99.97 19.62 0.09 0.01112 0.01482 44 8 1 5 0 1145.450 26.00 20.02 19.62 23.57 36.1 1035.14 -3853 2033 -6767 -672 1676 675 4727 1035 -911 -2264 -217 -1645 121 2698 -925 -2791 2984 2222 1690 1061 651 1547 -946 549 -544 3006 -263 -284 -107 33 1415 910 -2438 -1174 2082 -1194 -749 525 -105 -1681 -447 -2014 -1422 -1308 -229 -1592 -231 -342 394 249 0 -326 1656 1231 562 1389 692 1370 911 1075 2205 1178 104 -272 -868 183 -270 853 999 -221 15 87 -591 43 -403 312 840 736 -327 -743 -348 -1478 -753 -1187 -738 -1116 -278 -639 -352 29 219 305 969 1011 739 672 761 -272 -281 -443 -412 -85 797 342 -627 -255 -637 -194 338 -8 -525 -29 -350 -345 58 410 782 490 97 -753 -150 287 244 25 252 5 1044 659 34 632 290 503 268 458 -201 1 129 -153 -552 -422 -335 -371 -72 -1108 571 -1980 -174 396 161 1173 291 -274 -695 -65 -523 41 985 -373 -1189 1238 947 741 476 295 697 -444 265 -273 1478 -129 -133 -48 15 640 435 -1226 -580 969 -578 -393 309 -69 -1221 -338 -1576 -1120 -1030 -179 -1242 -175 -253 286 182 0 -257 1329 1016 473 1183 593 1167 772 915 1909 1075 99 -267 -840 167 -235 729 894 -213 15 90 -614 44 -390 281 708 602 -277 -676 -337 -1528 -804 -1315 -849 -1345 -345 -807 -443 36 256 335 1007 1027 774 743 894 -339 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