File name: Pandora55s1_QueensNY_20230713_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20230714T154543.6Z 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_20230713_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: 20230713 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 --------------------------------------------------------------------------------------- SU 20230713T173131.2Z 8594.730222 43 1 50.34 2 20.02 201.04 51.17 269.14 0.00 1 0.00 1 0 25 8.450e-03 6.713e-03 9.478e-04 7.111e-04 1.535702e-01 3.861177e-04 1.860531e-03 -6.000000e+00 5.118304e-03 232.89 -2.00 3.51 -2.00 314.51 0.00e+00 2.517089e-05 3.050564e-05 2.988128e-05 -6.000000e+00 2.288345e-04 289.38 -2.00 20.00 -2.00 313.86 0.00e+00 1.064 0.000 302.00 328.00 3 4.0042e+00 9.9468e-04 1.3415e-02 -6.0000e+00 1.2835e-02 -3.6881e-03 1.0957e-03 8.0232e-03 -6.0000e+00 1.3836e-02 2.8691e-03 6.2684e-04 3.8871e-03 -6.0000e+00 8.2421e-03 -2.3287e-03 2.6933e-04 1.0635e-03 -6.0000e+00 3.4757e-03 2.9367e-03 2.9291e-04 2.1832e-05 1.6326e-05 -6.0000e+00 2.5425e-04 7.8166e-03 0.0000e+00 11 9 0 11 4 0 99.69 22.70 0.19 0.00782 0.01002 60 11 1 5 0 838.920 26.00 19.99 22.70 36.70 36.5 1100.00 -1951 -1417 -3585 -1355 674 1066 2233 994 -413 -386 732 640 -232 1005 -523 -554 996 1076 644 286 671 1206 587 300 188 -15 -707 -38 1212 1038 1365 1551 -1463 -799 679 -47 174 542 -436 -1410 -1008 -1431 -1270 -1015 -779 -1295 -809 -837 398 567 446 484 954 640 540 964 396 615 874 1404 1376 1188 382 -558 -576 -23 189 1357 952 141 -223 -408 -384 -554 -164 331 598 1242 151 -136 -630 -1503 -1101 -1097 -896 -796 -519 -410 -541 -172 102 296 935 1299 1077 798 667 -299 -533 -378 -486 18 1062 276 -687 -272 -743 -211 27 -80 -325 -349 -142 -179 426 703 841 669 40 -576 -361 -102 -163 233 127 337 1335 1002 463 510 -76 253 215 373 -259 -159 78 -386 -513 -228 -299 -328 -14 -799 -588 -1474 -514 237 373 820 396 -174 -163 304 275 -106 492 -273 -297 536 587 359 162 380 681 338 178 115 -9 -426 -22 663 562 755 889 -872 -469 384 -27 107 365 -325 -1133 -840 -1219 -1091 -870 -667 -1099 -673 -680 316 451 363 407 820 564 482 868 359 556 783 1261 1262 1133 378 -564 -574 -22 171 1203 879 138 -230 -429 -403 -570 -163 309 527 1062 132 -126 -620 -1559 -1177 -1208 -1021 -940 -631 -507 -669 -208 119 325 973 1323 1121 869 766 -362 -662 -466 -581 21 1193 318 -823 -336 -943 -273 36 -109 -450 -484 -193 -234 529 843 999 811 50 -757 -484 -136 -217 301 161 413 1585 1185 559 635 -97 326 280 493 -353 -223 112 -557 -746 -330 -426 -460 -19 SU 20230713T174145.3Z 8594.737330 46 1 50.24 2 20.81 207.46 53.05 270.78 0.00 1 0.00 1 0 25 9.332e-03 6.754e-03 1.592e-03 1.115e-03 1.560719e-01 6.022403e-04 1.886823e-03 -6.000000e+00 5.652037e-03 232.89 -2.00 3.51 -2.00 314.87 0.00e+00 -5.647125e-05 5.096957e-05 3.295980e-05 -6.000000e+00 2.527110e-04 289.38 -2.00 20.00 -2.00 314.18 0.00e+00 1.070 0.000 302.00 328.00 3 4.7649e+00 1.5570e-03 1.3545e-02 -6.0000e+00 1.4174e-02 6.5141e-03 1.7184e-03 8.1567e-03 -6.0000e+00 1.5280e-02 4.2047e-03 9.8114e-04 3.9502e-03 -6.0000e+00 9.1019e-03 -3.4473e-03 4.2562e-04 1.0768e-03 -6.0000e+00 3.8379e-03 1.3523e-03 3.1371e-04 3.4330e-05 1.6113e-05 -6.0000e+00 2.8079e-04 8.4548e-03 0.0000e+00 11 9 0 11 4 0 99.86 22.68 0.17 0.00845 0.01081 60 11 1 5 0 837.170 26.00 19.99 22.68 36.91 36.5 1100.00 -2559 -283 -4093 -1530 1070 13 3427 789 -504 -1051 450 463 -1459 1945 -567 -1013 1426 1239 1167 708 905 897 -247 152 89 778 -414 174 959 1055 1510 1483 -1768 -987 1002 -178 -76 756 -430 -1494 -868 -1584 -1285 -1062 -406 -1379 -471 -655 499 235 114 25 1260 871 530 1231 561 823 782 1520 1530 1130 73 -279 -980 106 -65 1059 954 -127 -36 -213 -575 -140 -221 -2 907 983 -283 -135 -278 -1454 -1280 -1112 -886 -756 -371 -471 -359 -47 -189 236 1190 1290 1062 503 795 -78 -319 -439 -453 -11 946 163 -695 -321 -756 -105 137 87 -390 -199 -224 -382 399 764 804 460 79 -704 -202 -101 86 132 21 268 1242 924 384 567 52 339 120 339 -460 -27 217 -303 -544 -336 -264 -293 18 -929 -103 -1490 -508 325 4 1086 278 -188 -396 167 177 -607 856 -270 -500 703 621 598 370 474 471 -133 84 51 443 -232 92 485 527 770 790 -987 -542 525 -95 -43 483 -308 -1166 -705 -1319 -1079 -891 -339 -1142 -380 -517 384 182 91 21 1061 752 465 1089 501 731 690 1340 1381 1066 72 -281 -974 100 -58 924 871 -124 -37 -223 -605 -144 -218 -2 783 822 -244 -124 -271 -1505 -1371 -1228 -1017 -903 -457 -590 -449 -57 -222 260 1235 1307 1102 551 920 -95 -401 -549 -547 -13 1065 188 -841 -402 -976 -138 185 121 -552 -282 -311 -506 501 922 964 565 102 -942 -275 -138 115 174 26 332 1485 1101 468 715 68 444 159 456 -640 -38 316 -448 -810 -497 -386 -420 25 SU 20230713T174746.2Z 8594.741507 50 1 50.17 2 21.37 211.02 54.15 271.72 0.00 1 0.00 1 0 17 8.514e-03 6.769e-03 9.103e-04 6.717e-04 1.561807e-01 3.639595e-04 1.897228e-03 -6.000000e+00 5.155747e-03 232.89 -2.00 3.51 -2.00 314.60 0.00e+00 9.452428e-05 2.928773e-05 3.473180e-05 -6.000000e+00 2.305504e-04 289.38 -2.00 20.00 -2.00 313.94 0.00e+00 1.074 0.000 302.00 328.00 3 3.8564e+00 9.3862e-04 1.3585e-02 -6.0000e+00 1.2929e-02 -1.8889e-03 1.0345e-03 8.1757e-03 -6.0000e+00 1.3939e-02 1.7292e-03 5.9129e-04 3.9622e-03 -6.0000e+00 8.3031e-03 -2.2976e-03 2.5465e-04 1.0899e-03 -6.0000e+00 3.5003e-03 3.3522e-03 2.1078e-04 2.0625e-05 1.6621e-05 -6.0000e+00 2.5617e-04 9.6671e-03 0.0000e+00 11 9 0 11 4 0 99.98 22.67 0.23 0.00967 0.01125 86 16 1 5 0 583.240 26.00 19.99 22.67 36.52 36.7 1100.00 -1653 -1612 -3295 -1461 640 1043 2087 1315 -206 -384 942 958 -365 950 -383 -732 -344 805 869 143 910 1260 609 458 32 -92 -766 19 1329 1587 1530 1429 -1294 -882 878 288 287 312 -530 -1399 -983 -1489 -1400 -1042 -720 -1373 -829 -746 369 499 467 494 1004 764 536 1010 403 728 783 1442 1245 1085 386 -573 -550 135 394 1336 879 166 -212 -537 -438 -638 -338 184 702 1294 287 -85 -592 -1488 -1078 -965 -931 -746 -423 -398 -534 -252 4 296 1152 1404 1170 646 687 -229 -521 -375 -396 96 867 203 -763 -336 -834 -186 18 17 -444 -286 -221 -241 352 812 783 570 71 -587 -373 -193 -110 301 189 432 1384 1075 436 552 15 235 150 345 -252 -142 157 -363 -573 -321 -326 -271 -12 -655 -649 -1310 -537 218 353 742 508 -84 -157 380 398 -164 453 -195 -385 -182 430 474 80 506 699 344 267 19 -55 -453 11 713 841 829 804 -759 -510 488 162 173 208 -391 -1112 -814 -1260 -1194 -886 -612 -1158 -684 -601 291 395 378 413 859 668 476 904 364 653 698 1289 1137 1030 382 -579 -547 127 355 1180 811 163 -218 -564 -460 -657 -335 171 616 1101 251 -79 -582 -1542 -1152 -1062 -1064 -883 -515 -493 -662 -306 4 325 1199 1428 1218 706 792 -277 -650 -464 -474 110 976 234 -917 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