File name: Pandora55s1_QueensNY_20240706_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T141308.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 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_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240706_L1_smca1c18d20230426p1-8.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: 20240706 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20240706T123300.0Z 8953.522917 134 1 50.50 2 58.24 86.37 63.00 77.78 0.00 1 0.00 1 0 25 8.609e-03 6.158e-03 1.068e-03 4.364e-04 2.630367e-01 2.317563e-04 3.158872e-03 -6.000000e+00 5.206548e-03 232.89 -2.00 3.51 -2.00 316.66 0.00e+00 -7.125157e-05 2.864016e-05 5.499517e-05 -6.000000e+00 2.318161e-04 288.80 -2.00 20.00 -2.00 315.84 0.00e+00 1.893 0.000 302.00 328.00 3 2.0691e+00 6.1109e-04 2.3566e-02 -6.0000e+00 1.3059e-02 -3.7713e-04 6.8148e-04 1.3859e-02 -6.0000e+00 1.4078e-02 -2.3481e-03 3.9425e-04 6.6952e-03 -6.0000e+00 8.3905e-03 -2.2229e-03 1.8362e-04 1.8164e-03 -6.0000e+00 3.5134e-03 7.3285e-03 -2.4593e-04 1.3445e-05 2.3752e-05 -6.0000e+00 2.5725e-04 2.9870e-04 0.0000e+00 10 0 0 10 0 0 99.99 22.80 0.19 0.00030 -0.00155 474 90 1 5 0 106.520 26.11 19.98 22.80 29.67 37.8 1098.02 -775 -2017 -1751 -3818 -1630 -402 801 1792 1126 -451 -477 980 838 908 979 -72 -569 -851 616 477 -546 897 1148 708 688 85 -98 -456 440 1363 1371 1582 1346 -1137 -947 338 76 172 413 -601 -1380 -1102 -1450 -1212 -965 -760 -1252 -971 -801 266 650 593 704 684 597 555 813 206 584 689 1350 1287 1228 558 -517 -70 168 554 1402 1104 283 -134 -527 -392 -704 -158 230 543 1317 258 58 -610 -1454 -1076 -973 -902 -656 -410 -341 -559 -68 318 314 1287 1354 1257 840 725 -315 -622 -519 -580 -82 722 5 -835 -350 -810 -145 -77 -129 -367 -308 -144 -49 524 784 872 626 -68 -601 -419 -270 -278 183 132 445 1363 991 412 439 -48 379 133 291 -269 -165 127 -424 -378 -244 -236 -245 121 -110 -322 -291 -629 -242 -55 110 267 189 -83 -89 183 169 193 237 -20 -167 -261 181 146 -173 284 365 234 241 32 -37 -167 151 443 450 554 511 -466 -384 130 30 72 204 -334 -828 -710 -928 -789 -630 -494 -811 -615 -522 170 423 388 491 481 438 420 627 161 453 528 1033 1027 1006 495 -461 -61 142 460 1154 942 259 -127 -520 -384 -691 -143 197 443 1034 216 52 -589 -1485 -1121 -1071 -1018 -788 -498 -425 -695 -81 364 342 1336 1379 1353 958 881 -407 -818 -676 -737 -100 837 6 -1043 -444 -1084 -195 -109 -187 -541 -459 -215 -71 718 1013 1158 835 -94 -885 -613 -392 -407 255 183 584 1758 1280 544 619 -70 562 195 443 -420 -262 208 -712 -639 -406 -381 -392 190 SS 20240706T130607.3Z 8953.545917 154 1 2.74 2 51.97 91.71 57.03 82.42 0.00 1 0.00 1 0 25 1.053e-02 7.331e-03 5.988e-03 3.413e-03 2.249805e-01 1.824354e-03 2.707380e-03 -6.000000e+00 6.372202e-03 232.89 -2.00 3.51 -2.00 315.69 0.00e+00 2.200666e-04 1.823818e-04 4.307146e-05 -6.000000e+00 2.836752e-04 288.80 -2.00 20.00 -2.00 314.94 0.00e+00 1.619 0.000 302.00 328.00 3 3.3711e+00 4.7534e-03 2.0132e-02 -6.0000e+00 1.5983e-02 1.6931e-02 5.2705e-03 1.1797e-02 -6.0000e+00 1.7228e-02 -2.4586e-03 3.0081e-03 5.7032e-03 -6.0000e+00 1.0268e-02 -1.4841e-03 1.3367e-03 1.5686e-03 -6.0000e+00 4.3011e-03 2.7554e-03 6.4126e-05 1.0470e-04 2.1751e-05 -6.0000e+00 3.1475e-04 -1.5508e-03 0.0000e+00 12 9 1 12 9 1 -1073.02 22.79 0.18 -0.00155 -0.00107 3 14 1 5 0 683.340 26.11 20.01 22.79 31.64 37.7 1100.00 -1162 -3947 1182 -3116 -867 -288 336 3431 -1686 -370 -1208 1340 1672 737 1690 -1740 -172 -62 991 1207 -376 1439 2469 -63 203 -578 -484 676 393 704 763 3908 135 -1928 -485 325 -324 -234 -559 -361 -918 -752 -354 -2241 -635 -1115 -393 -1900 -762 381 874 -871 180 991 971 1103 686 -142 826 1077 499 1328 1557 173 -645 -388 208 907 1771 1627 104 -331 201 -677 -840 -729 345 14 1409 721 -302 -239 -1506 -875 -1236 -1018 -801 -55 -717 -303 64 591 152 1389 1410 1058 777 1008 -266 -917 -657 -794 48 880 138 -806 -475 -838 -123 -116 -185 -588 -99 -243 -131 396 793 987 943 -135 -641 -399 -68 -70 44 440 150 1427 701 286 832 192 122 313 48 -426 -361 250 -425 -518 6 -536 23 57 -271 -1019 302 -803 -206 -64 75 802 -447 -102 -339 371 485 235 585 -664 -68 -25 406 505 -162 617 1056 -28 93 -275 -232 315 176 305 331 1725 64 -958 -237 154 -157 -122 -325 -232 -637 -546 -262 -1695 -476 -840 -293 -1405 -551 272 627 -652 139 786 789 910 577 -120 693 896 419 1137 1387 162 -617 -367 187 783 1515 1459 100 -333 205 -693 -841 -701 311 12 1177 622 -279 -234 -1564 -937 -1369 -1169 -954 -67 -891 -374 77 685 168 1455 1457 1127 872 1195 -333 -1183 -842 -985 57 1020 163 -995 -605 -1096 -164 -158 -262 -852 -143 -346 -180 519 1006 1246 1216 -181 -892 -564 -95 -98 60 582 194 1785 879 368 1107 263 170 440 69 -629 -548 384 -664 -814 10 -824 35 85 SS 20240706T130952.5Z 8953.548525 157 1 4.46 2 51.26 92.34 56.35 82.96 0.00 1 0.00 1 0 17 1.071e-02 7.036e-03 4.471e-03 2.592e-03 2.213225e-01 1.387294e-03 2.668998e-03 -6.000000e+00 6.474123e-03 232.89 -2.00 3.51 -2.00 315.64 0.00e+00 -1.541376e-04 1.367513e-04 2.899985e-05 -6.000000e+00 2.883483e-04 288.80 -2.00 20.00 -2.00 314.89 0.00e+00 1.594 0.000 302.00 328.00 3 3.4456e+00 3.6122e-03 1.9820e-02 -6.0000e+00 1.6239e-02 1.1872e-02 4.0043e-03 1.1609e-02 -6.0000e+00 1.7508e-02 1.8788e-03 2.2854e-03 5.6152e-03 -6.0000e+00 1.0434e-02 -2.0868e-03 1.0124e-03 1.5285e-03 -6.0000e+00 4.3671e-03 2.6431e-03 -4.3866e-04 7.9563e-05 2.1427e-05 -6.0000e+00 3.2004e-04 3.1153e-03 0.0000e+00 12 9 1 12 1 1 85.42 22.80 0.20 0.00312 -0.00018 5 13 1 5 0 740.080 26.11 20.01 22.80 31.86 37.9 1100.00 -2399 -2746 -2447 -5817 -814 -2139 357 1120 1703 -1727 316 -352 1367 688 2298 -264 -208 865 287 986 -1068 1140 1524 449 358 492 446 -294 57 1784 2043 1743 2809 -685 -625 258 -126 623 574 -138 -1136 -1202 -2045 -1295 -1474 -832 -1323 -247 -615 1 157 894 849 725 1136 94 790 257 619 481 1316 1619 778 423 -481 -171 129 322 1533 1008 552 -114 -664 -297 -378 -354 -60 652 1019 52 -166 -932 -1652 -1289 -973 -801 -843 -256 -478 -284 -315 -93 123 1615 638 1164 583 663 -701 -555 -250 -464 72 891 88 -686 -233 -1146 142 160 505 -654 -233 -204 -189 502 754 1072 432 -292 -511 -74 -55 -356 401 -28 467 1815 1001 314 605 35 23 151 171 -343 -134 81 -357 -163 -285 -174 -179 -519 -579 -719 -655 -1560 -197 -493 81 273 451 -492 90 -101 406 224 807 -101 -83 351 120 420 -469 497 665 202 167 237 216 -140 26 777 889 790 1326 -341 -308 124 -61 325 335 -89 -797 -881 -1542 -983 -1121 -629 -997 -182 -447 1 114 666 656 578 927 78 667 218 523 404 1105 1390 699 396 -461 -162 117 280 1320 911 530 -115 -684 -305 -379 -340 -54 560 855 45 -154 -919 -1720 -1385 -1076 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