File name: Pandora55s1_QueensNY_20240503_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240516T065433.9Z 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 v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240503_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: 20240503 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 20240503T144339.2Z 8889.613648 281 1 49.76 2 37.23 122.31 56.26 210.03 0.00 1 0.00 1 0 17 2.253e-02 9.831e-03 3.989e-03 2.254e-03 1.915196e-01 1.195830e-03 2.276791e-03 -6.000000e+00 1.350053e-02 230.19 -2.00 3.51 -2.00 315.75 0.00e+00 -3.376528e-04 1.188505e-04 3.111225e-05 -6.000000e+00 5.925431e-04 282.45 -2.00 20.00 -2.00 315.08 0.00e+00 1.255 0.000 302.00 328.00 3 5.7532e+00 3.1014e-03 1.6023e-02 -6.0000e+00 3.3711e-02 3.0625e-02 3.4467e-03 9.8100e-03 -6.0000e+00 3.6469e-02 6.7036e-03 1.9747e-03 4.7848e-03 -6.0000e+00 2.1681e-02 -2.4014e-03 8.8522e-04 1.3407e-03 -6.0000e+00 9.1224e-03 3.8617e-04 3.2686e-04 6.9705e-05 1.8082e-05 -6.0000e+00 6.7716e-04 1.3223e-02 0.0000e+00 12 9 8 11 36 0 99.98 22.77 0.48 0.01322 0.01568 24 5 1 5 0 2072.810 26.11 19.98 22.77 21.22 36.8 1082.42 -5723 10796 -8237 499 5317 93 9591 2543 -641 -1761 1502 -2914 -9590 4654 755 -3027 -4538 6922 3840 -1399 1085 3098 -2422 1149 -801 -312 -924 59 -432 797 3076 705 -1113 -1188 -1382 -1474 -1458 309 421 -1901 317 -2165 -1217 -312 1556 -1761 471 -494 624 -48 -1335 -419 2046 1969 967 2210 1212 2101 941 1163 2659 1199 18 -164 -1588 -27 -1154 428 1019 156 182 760 -1073 673 -587 344 1155 -80 -1084 -1780 -10 -1348 -1027 -1630 -613 -1246 -412 -864 81 -181 -314 291 180 449 974 46 171 -195 -257 203 -770 -263 1202 431 -438 -334 -539 436 1081 508 -452 180 -154 -357 214 382 588 284 -236 -974 -70 756 -208 320 201 -413 897 278 -526 490 649 786 219 578 -258 483 130 -136 -674 -398 -429 -217 -394 -1497 2514 -2193 114 1087 20 2043 635 -174 -489 404 -852 -3247 1538 278 -1198 -1860 2641 1542 -596 458 1287 -1079 517 -379 -148 -429 26 -181 328 1288 318 -525 -554 -625 -676 -731 174 268 -1339 232 -1650 -932 -238 1166 -1336 344 -355 439 -34 -993 -323 1604 1587 798 1839 1020 1753 785 972 2262 1078 17 -159 -1531 -25 -996 362 904 150 184 781 -1113 673 -564 306 955 -65 -910 -1618 -9 -1391 -1101 -1819 -709 -1511 -515 -1102 102 -223 -370 320 187 457 1019 51 203 -246 -333 260 -954 -310 1374 506 -540 -428 -712 587 1490 727 -667 265 -222 -492 279 478 729 362 -314 -1358 -98 1062 -290 434 264 -527 1100 341 -667 639 870 1071 302 813 -376 724 199 -211 -1058 -619 -656 -325 -584 SS 20240503T155652.8Z 8889.664500 324 1 10.53 2 27.52 150.21 64.49 227.97 0.00 1 0.00 1 0 25 8.028e-03 6.476e-03 1.289e-03 9.621e-04 1.697859e-01 5.166316e-04 2.075559e-03 -6.000000e+00 4.811168e-03 230.20 -2.00 3.51 -2.00 314.53 0.00e+00 9.196753e-05 4.046157e-05 3.190198e-05 -6.000000e+00 2.111586e-04 282.46 -2.00 20.00 -2.00 313.97 0.00e+00 1.127 0.000 302.00 328.00 3 2.9533e+00 1.3247e-03 1.4369e-02 -6.0000e+00 1.2014e-02 2.1252e-02 1.4637e-03 8.7806e-03 -6.0000e+00 1.2996e-02 5.5967e-04 8.3717e-04 4.2958e-03 -6.0000e+00 7.7264e-03 -1.7994e-03 3.6015e-04 1.1951e-03 -6.0000e+00 3.2511e-03 7.5706e-03 4.5390e-04 2.9436e-05 1.8079e-05 -6.0000e+00 2.4131e-04 1.2941e-02 0.0000e+00 12 9 1 12 5 1 99.85 22.69 0.22 0.01294 0.01635 27 25 1 5 0 375.370 26.00 20.00 22.69 22.49 36.6 1088.74 -1710 -1906 -3329 -1312 385 835 1531 1106 -302 -96 801 539 565 669 -575 -397 -174 292 887 -25 1045 1279 830 390 152 -304 -501 98 1244 1545 1554 1453 -845 -619 736 281 400 130 -771 -1320 -1029 -1308 -1296 -842 -862 -953 -922 -621 280 732 612 694 755 573 675 719 193 709 798 1472 1234 884 316 -784 -171 73 264 1183 736 193 -275 -543 -492 -544 -249 420 476 1135 123 89 -464 -1321 -1087 -1116 -880 -624 -644 -570 -684 -188 19 150 1126 1212 1068 815 802 -326 -444 -254 -440 8 893 74 -548 -333 -637 -137 -25 -96 -309 -339 -194 -135 508 754 811 645 -49 -513 -410 -151 -145 297 307 486 1389 931 570 504 51 101 139 277 -329 -124 -5 -503 -439 -200 -255 -332 -38 -688 -788 -1337 -497 132 284 562 427 -125 -40 328 231 253 333 -300 -216 -92 157 487 -14 587 716 478 235 91 -184 -293 56 692 844 884 834 -513 -368 412 161 243 89 -572 -1059 -846 -1115 -1120 -725 -737 -803 -752 -505 220 575 502 578 658 498 599 647 176 637 708 1305 1140 845 312 -804 -168 68 236 1071 691 188 -280 -574 -517 -568 -249 391 416 979 107 83 -462 -1394 -1174 -1230 -1001 -734 -775 -703 -840 -228 22 167 1172 1261 1119 900 913 -396 -547 -317 -533 9 992 86 -662 -414 -806 -180 -33 -131 -422 -465 -261 -179 629 902 958 793 -62 -665 -549 -202 -194 380 384 594 1653 1102 684 639 66 129 180 371 -452 -173 -7 -726 -640 -286 -366 -461 -54 SS 20240503T162428.7Z 8889.683666 340 1 3.47 2 25.49 164.40 68.34 233.86 0.00 1 0.00 1 0 25 8.290e-03 6.737e-03 6.596e-04 4.994e-04 1.654085e-01 2.685444e-04 2.026872e-03 -6.000000e+00 4.968087e-03 230.20 -2.00 3.51 -2.00 314.46 0.00e+00 5.472275e-05 2.066498e-05 3.260589e-05 -6.000000e+00 2.180354e-04 282.46 -2.00 20.00 -2.00 313.91 0.00e+00 1.108 0.000 302.00 328.00 3 6.1604e-01 6.8836e-04 1.4074e-02 -6.0000e+00 1.2405e-02 1.6475e-03 7.5994e-04 8.5590e-03 -6.0000e+00 1.3420e-02 2.5065e-03 4.3509e-04 4.1881e-03 -6.0000e+00 7.9783e-03 -2.4334e-03 1.8676e-04 1.1651e-03 -6.0000e+00 3.3573e-03 8.1211e-02 5.2193e-04 1.5302e-05 1.7919e-05 -6.0000e+00 2.4916e-04 1.2523e-02 0.0000e+00 12 9 1 12 5 1 97.49 22.68 0.24 0.01252 0.01645 99 275 1 5 0 34.630 26.00 20.01 22.68 22.79 37.0 1091.05 -1754 -2518 -2920 -1288 570 1208 1457 1106 -468 -45 946 936 788 358 -273 -71 121 195 509 -84 1061 1251 894 425 78 -668 -841 438 1362 1377 1552 1617 -825 -497 257 220 490 238 -780 -1437 -1094 -1349 -1135 -982 -755 -1053 -889 -815 380 742 496 914 722 609 525 759 320 621 910 1413 1178 950 452 -788 -132 -126 392 1166 835 69 -335 -644 -500 -743 -165 272 542 1243 406 137 -744 -1407 -1162 -1009 -1006 -679 -535 -516 -695 -274 185 289 1245 1327 1215 943 710 -273 -518 -304 -469 95 786 88 -663 -262 -705 -116 -163 -177 -340 -350 -137 -159 491 713 819 704 11 -476 -405 -190 -260 279 323 580 1388 996 470 528 -103 232 152 275 -193 -163 94 -489 -451 -311 -290 -287 -56 -731 -1083 -1209 -507 203 426 556 442 -201 -19 400 414 363 174 -145 -38 65 108 286 -48 609 716 526 250 48 -415 -503 254 737 772 858 945 -487 -301 147 128 302 165 -586 -1166 -908 -1161 -951 -823 -651 -896 -731 -671 301 589 412 766 634 533 469 688 293 562 812 1264 1098 913 448 -786 -131 -119 353 1025 789 68 -343 -685 -528 -757 -161 256 479 1084 357 128 -749 -1445 -1262 -1116 -1150 -801 -644 -638 -857 -333 214 313 1306 1344 1282 1048 813 -333 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