File name: Pandora55s1_QueensNY_20240711_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240712T051252.5Z 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 v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240711_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: 20240711 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 20240711T120324.9Z 8958.502372 118 1 1.66 2 64.31 82.30 121.38 51.80 0.00 1 0.00 1 0 25 9.841e-03 6.664e-03 6.227e-03 2.220e-03 3.039254e-01 1.179622e-03 3.604251e-03 -6.000000e+00 5.957669e-03 232.89 -2.00 3.51 -2.00 317.03 0.00e+00 3.328541e-04 1.605839e-04 1.036727e-04 -6.000000e+00 2.663619e-04 289.27 -2.00 20.00 -2.00 316.18 0.00e+00 2.292 0.000 302.00 328.00 3 1.3164e+00 3.1310e-03 2.8024e-02 -6.0000e+00 1.4941e-02 2.0770e-03 3.4991e-03 1.5985e-02 -6.0000e+00 1.6110e-02 -7.3937e-03 2.0546e-03 7.6842e-03 -6.0000e+00 9.5956e-03 -7.0273e-04 9.8223e-04 2.1368e-03 -6.0000e+00 4.0426e-03 9.9730e-03 5.7491e-04 6.8626e-05 2.6930e-05 -6.0000e+00 2.9611e-04 1.2369e-02 0.0000e+00 12 9 1 12 5 1 88.73 22.82 0.16 0.01237 0.01669 11 69 1 5 0 138.130 26.11 20.01 22.82 31.94 37.9 1100.00 -2909 -2549 -4594 -2107 -1793 -482 678 906 -2917 -177 78 1259 -805 1419 -553 3 -1237 558 334 -1930 1852 1126 -442 262 -24 -948 10 -449 486 918 1475 1044 -869 -517 74 416 305 959 20 -1215 -880 -1289 -898 -494 -635 -821 -266 -612 371 490 1298 387 538 713 893 916 189 864 332 1328 964 1720 450 -679 -196 437 819 1450 814 -93 -334 -178 -117 -1085 -296 388 129 1042 144 -448 -650 -1608 -1449 -948 -1267 -515 -382 -290 -517 -102 403 437 1400 1689 1239 729 840 -317 -452 -635 -353 28 478 -111 -965 -149 -940 -378 54 -237 -292 -467 -471 -261 618 907 1116 804 -89 -442 -586 -199 -310 211 214 654 1715 1133 480 556 41 90 16 531 -85 -176 -140 -560 -331 -158 -392 -356 118 -358 -329 -591 -245 -211 -57 87 120 -433 -26 12 206 -154 285 -128 1 -327 152 88 -539 504 312 -129 81 -8 -317 3 -138 143 275 476 370 -312 -184 27 155 120 421 10 -653 -510 -784 -557 -307 -397 -511 -162 -369 221 301 799 258 362 502 648 681 143 646 247 982 714 1363 374 -597 -170 352 649 1149 675 -83 -310 -171 -111 -1038 -260 320 103 803 120 -401 -627 -1652 -1529 -1014 -1400 -604 -455 -353 -628 -119 449 463 1422 1757 1322 832 993 -402 -586 -844 -440 34 562 -135 -1220 -191 -1237 -519 76 -344 -434 -706 -714 -371 858 1229 1500 1091 -126 -643 -874 -293 -458 298 298 895 2227 1484 648 783 59 135 25 823 -136 -289 -236 -943 -560 -270 -647 -581 188 SS 20240711T120841.9Z 8958.506041 121 1 50.46 2 63.31 83.10 120.63 53.00 0.00 1 0.00 1 0 25 9.478e-03 5.994e-03 1.568e-03 5.041e-04 2.966077e-01 2.681873e-04 3.526734e-03 -6.000000e+00 5.737224e-03 232.89 -2.00 3.51 -2.00 317.25 0.00e+00 4.715998e-05 3.862763e-05 9.127947e-05 -6.000000e+00 2.565245e-04 289.27 -2.00 20.00 -2.00 316.39 0.00e+00 2.214 0.000 302.00 328.00 3 1.8485e+00 7.1408e-04 2.7192e-02 -6.0000e+00 1.4388e-02 7.7352e-03 7.9905e-04 1.5630e-02 -6.0000e+00 1.5514e-02 -3.6781e-03 4.7349e-04 7.5249e-03 -6.0000e+00 9.2407e-03 -2.3964e-03 2.2910e-04 2.0496e-03 -6.0000e+00 3.8927e-03 6.3634e-03 3.8348e-04 1.5656e-05 2.5906e-05 -6.0000e+00 2.8517e-04 1.2956e-02 0.0000e+00 11 1 0 11 4 0 99.98 22.81 0.21 0.01296 0.01584 431 81 1 5 0 117.060 26.11 19.98 22.81 32.14 38.0 1100.00 -3287 -855 -5424 -1022 -712 75 2221 711 -1231 -1886 736 -213 527 1079 -142 -1013 -261 810 763 -454 810 1372 147 689 -366 103 -1009 352 698 1380 1574 1268 -1392 -979 473 -99 284 353 -530 -1543 -1004 -1364 -1067 -912 -633 -1178 -666 -692 253 648 455 850 816 772 487 764 305 678 843 1362 1391 1112 552 -553 -125 141 392 1450 1038 266 -199 -533 -509 -639 -226 318 539 1242 95 -152 -626 -1545 -1180 -925 -855 -622 -372 -396 -438 5 337 411 1348 1391 1222 847 649 -302 -537 -511 -591 -81 594 -56 -910 -322 -754 -145 -44 -62 -348 -308 -77 -85 520 769 858 673 -41 -586 -509 -243 -301 119 13 464 1304 962 403 581 -4 298 144 212 -200 -123 144 -410 -468 -221 -246 -212 174 -370 -99 -641 -107 -70 7 236 86 -163 -259 101 -32 90 197 -29 -228 -61 197 193 -120 214 364 41 191 -108 31 -295 103 196 392 452 399 -476 -332 153 -33 106 147 -249 -830 -550 -783 -624 -536 -371 -691 -383 -391 141 371 277 553 536 530 347 556 225 496 608 982 1047 862 443 -470 -104 115 302 1108 865 238 -184 -513 -486 -584 -199 265 411 963 75 -130 -576 -1574 -1227 -974 -961 -716 -450 -491 -541 6 384 447 1408 1432 1281 945 775 -385 -696 -680 -741 -96 705 -66 -1158 -417 -990 -198 -61 -91 -527 -474 -115 -123 718 1039 1150 906 -59 -869 -774 -365 -440 173 18 633 1690 1253 559 833 -5 451 216 331 -321 -208 243 -708 -815 -378 -419 -348 277 SS 20240711T121341.4Z 8958.509507 124 1 50.44 2 62.38 83.86 119.91 54.11 0.00 1 0.00 1 0 25 8.618e-03 6.029e-03 7.521e-04 2.897e-04 2.882565e-01 1.542783e-04 3.436545e-03 -6.000000e+00 5.216579e-03 232.89 -2.00 3.51 -2.00 316.86 0.00e+00 1.989679e-05 2.012635e-05 8.096689e-05 -6.000000e+00 2.332434e-04 289.27 -2.00 20.00 -2.00 316.02 0.00e+00 2.145 0.000 302.00 328.00 3 8.9709e-01 4.0828e-04 2.6366e-02 -6.0000e+00 1.3082e-02 2.2553e-03 4.5555e-04 1.5159e-02 -6.0000e+00 1.4106e-02 -6.5445e-03 2.6528e-04 7.3023e-03 -6.0000e+00 8.4021e-03 -6.3396e-04 1.2562e-04 1.9869e-03 -6.0000e+00 3.5395e-03 1.7912e-02 3.7903e-04 8.9508e-06 2.5695e-05 -6.0000e+00 2.5929e-04 1.2877e-02 0.0000e+00 11 1 0 11 4 0 99.99 22.81 0.22 0.01288 0.01573 775 147 1 5 0 65.070 26.11 20.01 22.81 32.49 38.0 1100.00 -2254 -2656 -3600 -2755 -862 -862 642 236 -859 -1025 518 802 246 630 -662 -319 37 497 279 -155 988 1253 778 380 118 -500 -639 144 1503 1135 1571 1290 -1112 -940 27 -107 135 372 -739 -1262 -1002 -1161 -1101 -777 -586 -1034 -779 -666 386 672 602 767 722 608 611 677 346 622 736 1331 1223 1245 511 -560 -50 135 515 1363 887 204 -192 -544 -432 -738 -137 141 456 1075 226 -76 -768 -1488 -1239 -1043 -923 -575 -406 -352 -522 -11 300 423 1302 1500 1268 857 728 -360 -561 -436 -592 -165 652 -103 -811 -381 -741 -128 -58 -76 -372 -268 -130 -37 538 797 802 653 -99 -533 -431 -277 -365 107 122 466 1333 995 534 503 40 237 166 231 -251 -151 176 -417 -457 -229 -279 -229 98 -304 -377 -503 -382 -110 -111 90 34 -136 -167 85 142 50 146 -162 -83 10 141 83 -48 303 387 251 122 40 -173 -215 45 484 373 517 463 -432 -362 10 -41 54 175 -392 -720 -616 -707 -684 -484 -364 -643 -475 -398 240 428 386 526 499 440 456 518 268 478 558 1008 921 1010 430 -498 -43 115 412 1085 735 182 -185 -522 -411 -703 -126 122 362 868 186 -67 -732 -1503 -1281 -1139 -1033 -659 -490 -435 -643 -13 341 457 1349 1528 1372 947 862 -455 -723 -576 -736 -196 767 -125 -1024 -490 -969 -174 -80 -108 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