File name: Pandora55s1_QueensNY_20230908_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20230909T054816.3Z 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_20230908_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: 20230908 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 20230908T152817.6Z 8651.644648 389 1 45.21 2 39.91 145.91 42.84 268.79 0.00 1 0.00 1 0 25 8.531e-03 6.451e-03 1.041e-03 6.749e-04 1.699923e-01 3.589453e-04 2.073563e-03 -6.000000e+00 5.108221e-03 229.82 -2.00 3.51 -2.00 315.24 0.00e+00 -3.840664e-05 3.295567e-05 2.802094e-05 -6.000000e+00 2.301442e-04 288.50 -2.00 20.00 -2.00 314.53 0.00e+00 1.302 0.000 302.00 328.00 3 3.4119e+00 9.2505e-04 1.5737e-02 -6.0000e+00 1.2717e-02 2.6179e-03 1.0258e-03 8.8198e-03 -6.0000e+00 1.3744e-02 6.3865e-03 5.8637e-04 4.3021e-03 -6.0000e+00 8.2042e-03 -4.4744e-03 2.5895e-04 1.1895e-03 -6.0000e+00 3.4774e-03 4.0768e-03 4.9973e-04 2.0787e-05 1.7355e-05 -6.0000e+00 2.5646e-04 1.0074e-02 0.0000e+00 12 9 1 12 5 5 100.00 19.46 0.18 0.01007 0.01383 239 51 1 5 0 188.320 26.00 20.04 19.46 36.03 36.7 1100.00 -1940 -2057 -3293 -1264 80 1272 2094 1824 -616 56 727 1058 -185 755 -536 -811 41 526 861 -293 1051 981 673 323 100 -121 -818 505 1126 1545 1246 1795 -1297 -377 424 328 79 541 -702 -1622 -994 -1336 -1058 -1055 -692 -1326 -672 -656 550 584 465 766 849 624 561 996 307 890 709 1471 1312 1092 293 -506 -342 2 508 1175 1008 13 -296 -534 -476 -607 -164 168 627 1350 295 -73 -665 -1359 -1172 -1013 -1008 -647 -444 -434 -651 -205 173 241 1099 1269 1304 721 789 -255 -506 -447 -555 -95 734 248 -600 -134 -816 -40 -97 -23 -367 -197 -208 -119 422 703 918 696 100 -659 -395 -192 -148 210 184 351 1180 1021 352 565 -76 346 139 254 -261 -161 172 -340 -473 -284 -251 -271 -12 -609 -660 -1041 -364 21 337 590 560 -203 18 239 360 -69 302 -232 -364 18 243 405 -142 507 473 331 165 52 -64 -427 248 527 714 597 895 -679 -194 210 164 43 330 -480 -1208 -771 -1065 -850 -848 -554 -1057 -523 -498 408 435 357 610 696 526 478 860 267 769 610 1269 1162 1009 282 -501 -333 2 444 1013 909 12 -301 -555 -495 -616 -160 153 534 1112 251 -67 -649 -1405 -1254 -1120 -1159 -772 -549 -544 -817 -251 202 265 1140 1289 1358 795 921 -314 -643 -564 -676 -111 837 289 -732 -168 -1062 -52 -132 -33 -528 -283 -291 -160 538 862 1120 869 130 -897 -548 -266 -203 280 239 442 1438 1238 438 729 -101 464 188 349 -372 -236 257 -515 -722 -431 -374 -398 -17 SS 20230908T153225.5Z 8651.647517 392 1 6.97 2 39.48 147.37 43.60 269.46 0.00 1 0.00 1 0 25 8.259e-03 6.481e-03 1.592e-03 1.127e-03 1.687364e-01 6.018497e-04 2.066171e-03 -6.000000e+00 4.945759e-03 229.82 -2.00 3.51 -2.00 314.83 0.00e+00 3.883763e-05 5.113304e-05 2.771533e-05 -6.000000e+00 2.228215e-04 288.50 -2.00 20.00 -2.00 314.16 0.00e+00 1.294 0.000 302.00 328.00 3 2.6816e+00 1.5445e-03 1.5635e-02 -6.0000e+00 1.2313e-02 3.3634e-03 1.7098e-03 8.7592e-03 -6.0000e+00 1.3307e-02 3.9741e-03 9.7787e-04 4.2747e-03 -6.0000e+00 7.9432e-03 -3.2325e-03 4.2594e-04 1.1854e-03 -6.0000e+00 3.3669e-03 8.5536e-03 4.9699e-04 3.4517e-05 1.7811e-05 -6.0000e+00 2.4829e-04 9.9368e-03 0.0000e+00 12 9 1 12 5 5 99.99 19.46 0.18 0.00994 0.01367 35 49 1 5 0 193.220 26.00 19.98 19.46 36.41 36.6 1100.00 -1619 -2477 -3201 -1588 312 971 1360 962 -341 132 1056 982 532 790 -272 -261 -29 410 639 -191 929 1235 586 523 97 -354 -810 122 1088 1646 1674 1646 -901 -616 468 389 554 349 -705 -1572 -1040 -1299 -952 -1046 -731 -1344 -631 -587 433 549 709 944 585 521 450 807 385 647 815 1283 1226 1111 548 -838 -280 72 398 1145 1137 -35 -249 -703 -539 -544 -389 210 460 1364 261 -24 -682 -1284 -1096 -1026 -912 -683 -475 -468 -676 -204 118 392 1177 1336 1204 659 720 -141 -470 -466 -542 -132 761 143 -708 -278 -562 -177 -124 21 -307 -259 14 -11 569 681 679 558 73 -600 -383 -260 -110 233 114 589 1252 978 341 527 57 119 -60 292 -209 -192 302 -403 -478 -294 -293 -310 24 -593 -940 -1176 -523 98 303 458 341 -130 50 397 386 219 362 -130 -131 -15 204 325 -100 484 642 314 293 54 -200 -464 65 566 839 887 880 -512 -342 259 208 329 223 -510 -1233 -834 -1081 -801 -882 -611 -1113 -503 -469 333 425 571 770 502 445 393 714 345 574 712 1124 1117 1043 532 -848 -273 66 352 990 1053 -34 -251 -737 -562 -564 -389 196 402 1173 227 -22 -678 -1347 -1177 -1123 -1030 -798 -584 -573 -826 -246 136 436 1229 1345 1263 729 846 -171 -597 -584 -661 -154 850 167 -861 -346 -714 -233 -166 29 -433 -366 19 -15 712 824 812 695 95 -810 -519 -352 -149 303 145 732 1520 1178 417 659 74 155 -79 398 -292 -274 443 -592 -710 -432 -430 -440 34 SS 20230908T153628.8Z 8651.650334 395 1 16.05 2 39.08 148.83 44.35 270.10 0.00 1 0.00 1 0 17 8.195e-03 6.605e-03 4.434e-04 3.216e-04 1.675740e-01 1.720138e-04 2.056455e-03 -6.000000e+00 4.907456e-03 229.82 -2.00 3.51 -2.00 314.71 0.00e+00 5.596007e-05 1.427758e-05 3.328875e-05 -6.000000e+00 2.210958e-04 288.50 -2.00 20.00 -2.00 314.05 0.00e+00 1.287 0.000 302.00 328.00 3 1.0816e+00 4.4079e-04 1.5541e-02 -6.0000e+00 1.2217e-02 -7.6236e-03 4.8700e-04 8.6996e-03 -6.0000e+00 1.3204e-02 2.9677e-03 2.7915e-04 4.2464e-03 -6.0000e+00 7.8817e-03 -2.8273e-03 1.2161e-04 1.1817e-03 -6.0000e+00 3.3408e-03 4.2976e-02 4.5113e-04 9.8521e-06 1.7986e-05 -6.0000e+00 2.4637e-04 9.9359e-03 0.0000e+00 12 9 1 12 5 5 99.91 19.47 0.24 0.00994 0.01333 320 191 1 5 0 49.910 26.00 20.02 19.47 36.93 36.7 1100.00 -1442 -2541 -2855 -1426 108 1013 1340 1006 -368 -61 1058 1044 783 286 -335 -292 21 368 463 8 958 1192 896 447 127 -747 -734 285 1465 1366 1692 1493 -755 -706 145 203 335 265 -746 -1377 -1166 -1286 -1170 -917 -843 -1128 -964 -679 229 720 497 799 742 551 554 774 293 632 749 1389 1176 1041 465 -690 -202 -15 402 1337 941 88 -288 -603 -454 -697 -209 205 495 1352 322 27 -747 -1457 -1138 -972 -990 -635 -491 -443 -649 -187 184 267 1167 1428 1244 837 742 -276 -495 -364 -544 59 766 127 -687 -325 -750 -183 -83 -156 -301 -340 -162 -129 481 706 804 732 18 -492 -394 -274 -265 192 247 516 1362 1051 528 558 -29 215 117 249 -238 -182 134 -421 -464 -267 -283 -296 18 -538 -985 -1066 -510 35 347 464 388 -143 -24 406 418 347 133 -171 -147 11 193 249 4 528 655 505 251 74 -444 -420 159 764 702 902 844 -429 -415 81 115 200 176 -533 -1061 -959 -1050 -969 -758 -693 -916 -790 -535 182 573 396 669 624 480 493 699 257 571 669 1241 1050 994 457 -680 -200 -14 364 1179 856 86 -293 -637 -477 -707 -204 187 426 1150 288 26 -728 -1497 -1237 -1071 -1124 -743 -604 -542 -793 -226 213 291 1240 1461 1326 903 850 -335 -611 -458 -646 67 865 149 -842 -407 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