File name: Pandora55s1_QueensNY_20230912_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20230914T063240.8Z 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_20230912_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: 20230912 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 20230912T142125.3Z 8655.598210 245 1 50.63 2 49.75 127.20 25.71 148.30 0.00 1 0.00 1 0 25 9.152e-03 6.376e-03 1.500e-03 8.717e-04 1.975752e-01 4.619639e-04 2.401577e-03 -6.000000e+00 5.471668e-03 229.50 -2.00 3.51 -2.00 315.67 0.00e+00 -9.419305e-05 4.634430e-05 4.288746e-05 -6.000000e+00 2.465871e-04 288.20 -2.00 20.00 -2.00 314.93 0.00e+00 1.545 0.000 302.00 328.00 3 3.7451e+00 1.1950e-03 1.8526e-02 -6.0000e+00 1.3612e-02 2.6248e-02 1.3286e-03 1.0240e-02 -6.0000e+00 1.4718e-02 6.0366e-03 7.6073e-04 4.9936e-03 -6.0000e+00 8.7863e-03 -5.3116e-03 3.4171e-04 1.3806e-03 -6.0000e+00 3.7237e-03 2.1658e-03 3.1416e-04 2.6948e-05 1.9535e-05 -6.0000e+00 2.7510e-04 1.2903e-02 0.0000e+00 12 1 1 12 4 4 99.98 19.27 0.17 0.01290 0.01526 131 25 1 5 0 386.380 26.00 20.00 19.27 29.02 36.4 1066.49 -2454 -812 -4389 -1948 569 77 3086 1213 -605 -528 946 489 -872 1418 -488 -1137 -81 1429 997 461 801 1088 -21 621 15 371 -540 -44 902 1357 1942 1229 -1298 -659 840 -112 129 476 -581 -1528 -949 -1583 -1255 -850 -637 -1211 -692 -597 237 786 348 212 1005 771 578 1087 542 788 835 1496 1587 1079 200 -528 -399 169 221 1107 919 -1 -194 -488 -455 -505 -164 323 783 1177 126 -271 -504 -1339 -1205 -1064 -926 -680 -363 -445 -580 -230 66 136 1127 1394 1052 756 685 -238 -494 -525 -515 138 977 288 -602 -264 -707 -158 119 23 -334 -243 -170 -240 371 709 813 698 -104 -779 -413 -186 -113 133 168 364 1297 914 296 475 50 301 178 366 -192 -25 109 -346 -487 -258 -298 -225 -58 -639 -214 -1161 -469 126 17 722 316 -169 -149 264 143 -282 494 -185 -453 -33 583 420 198 346 469 -10 286 7 178 -254 -20 385 576 852 570 -632 -316 386 -53 66 272 -375 -1077 -699 -1201 -961 -650 -486 -917 -513 -433 169 562 258 163 797 629 480 915 458 665 699 1252 1363 971 189 -511 -380 153 190 942 821 -1 -196 -503 -468 -507 -157 289 658 963 107 -247 -491 -1381 -1292 -1176 -1065 -814 -447 -557 -726 -281 77 150 1173 1422 1105 840 809 -297 -636 -670 -635 162 1120 338 -741 -336 -927 -212 164 33 -486 -355 -243 -328 483 887 1011 889 -138 -1079 -583 -261 -157 180 221 464 1602 1126 375 624 68 413 247 517 -281 -37 167 -537 -761 -400 -455 -337 -86 SS 20230912T143201.1Z 8655.605568 248 1 50.01 2 48.19 130.03 24.78 153.68 0.00 1 0.00 1 0 17 1.380e-02 7.646e-03 2.352e-03 1.428e-03 1.918117e-01 7.580056e-04 2.324004e-03 -6.000000e+00 8.253080e-03 229.50 -2.00 3.51 -2.00 315.49 0.00e+00 9.741427e-05 7.332693e-05 3.650017e-05 -6.000000e+00 3.719287e-04 288.20 -2.00 20.00 -2.00 314.77 0.00e+00 1.497 0.000 302.00 328.00 3 4.7509e+00 1.9564e-03 1.7953e-02 -6.0000e+00 2.0532e-02 3.3812e-02 2.1730e-03 9.9177e-03 -6.0000e+00 2.2199e-02 4.1458e-03 1.2432e-03 4.8353e-03 -6.0000e+00 1.3253e-02 -2.9145e-03 5.5501e-04 1.3445e-03 -6.0000e+00 5.6166e-03 8.3581e-04 3.5566e-04 4.4020e-05 1.9051e-05 -6.0000e+00 4.1494e-04 1.2762e-02 0.0000e+00 12 9 1 12 5 5 99.99 19.30 0.23 0.01276 0.01543 30 6 1 5 0 1612.980 26.00 20.00 19.30 29.67 36.2 1069.70 -2571 4213 -5391 -243 2517 -393 5328 2205 -452 -1909 -298 -164 -4223 3269 -416 -1395 -6153 2906 1356 1830 608 1259 -94 310 15 2091 -917 -27 92 979 2563 672 -2213 -764 2002 -1094 -474 679 23 -1654 -398 -1641 -1539 -605 -55 -1721 33 -638 768 245 230 -171 1423 860 909 1648 359 1108 989 1332 1490 1208 -110 -55 -415 503 -95 1077 855 -591 -215 -278 -632 21 -431 147 1166 380 -467 -720 -204 -1097 -840 -1267 -923 -1119 -361 -569 -447 -254 102 362 1119 1112 1094 509 683 -193 -418 -393 -422 -487 865 110 -491 -371 -762 22 350 360 -430 -134 -462 -277 450 507 918 758 275 -728 -313 -25 -303 163 14 232 1155 965 144 645 254 307 438 322 -185 78 21 -392 -674 -118 -398 -321 -74 -721 1150 -1548 -62 588 -94 1312 608 -134 -579 -89 -51 -1482 1184 -166 -586 -2740 1234 596 816 276 568 -44 150 7 1030 -452 -12 41 432 1160 325 -1122 -380 946 -536 -251 400 15 -1196 -300 -1274 -1205 -471 -43 -1337 25 -473 557 180 174 -135 1146 712 764 1401 308 944 838 1131 1297 1100 -105 -54 -400 458 -82 926 771 -574 -218 -288 -654 21 -417 133 987 315 -400 -661 -199 -1136 -900 -1407 -1063 -1345 -445 -715 -559 -311 119 398 1165 1137 1151 566 804 -240 -535 -500 -518 -573 990 129 -602 -471 -995 30 479 507 -622 -194 -655 -377 581 630 1135 957 362 -1001 -438 -35 -418 219 19 294 1416 1181 182 840 339 416 599 450 -267 116 32 -601 -1041 -180 -600 -474 -108 SS 20230912T144044.4Z 8655.611625 251 1 10.86 2 46.95 132.45 24.14 158.36 0.00 1 0.00 1 0 25 8.659e-03 6.839e-03 9.080e-04 6.191e-04 1.872222e-01 3.300701e-04 2.288146e-03 -6.000000e+00 5.176686e-03 229.50 -2.00 3.51 -2.00 315.02 0.00e+00 4.006269e-05 2.906317e-05 4.208095e-05 -6.000000e+00 2.332999e-04 288.20 -2.00 20.00 -2.00 314.33 0.00e+00 1.462 0.000 302.00 328.00 3 1.7698e+00 8.4731e-04 1.7539e-02 -6.0000e+00 1.2878e-02 1.7991e-02 9.3927e-04 9.6932e-03 -6.0000e+00 1.3925e-02 1.2595e-03 5.3734e-04 4.7313e-03 -6.0000e+00 8.3127e-03 -2.5483e-03 2.3574e-04 1.3149e-03 -6.0000e+00 3.5228e-03 1.7342e-02 2.7117e-04 1.9009e-05 1.9483e-05 -6.0000e+00 2.6028e-04 1.3141e-02 0.0000e+00 12 9 1 12 5 5 99.97 19.28 0.18 0.01314 0.01518 94 84 1 5 0 114.240 26.00 19.98 19.28 30.60 36.2 1076.10 -1891 -2439 -3528 -996 -265 1283 934 1114 -837 -186 936 1298 385 331 -354 -675 308 461 689 137 1031 1180 1046 519 58 -560 -784 485 1317 1476 1555 1632 -1252 -748 225 384 540 390 -627 -1384 -959 -1303 -1146 -993 -830 -1207 -712 -815 453 824 517 675 634 462 478 872 318 672 810 1411 1276 997 392 -788 -252 -139 591 1287 1082 95 -383 -708 -403 -655 -117 138 476 1378 372 136 -760 -1411 -1277 -985 -987 -725 -555 -474 -608 -177 189 284 1312 1456 1343 904 783 -354 -590 -372 -441 117 917 196 -810 -246 -864 -85 -125 -45 -394 -346 -220 -153 472 848 883 697 65 -579 -479 -235 -326 206 190 548 1425 1145 428 478 -81 234 113 294 -289 -181 66 -410 -443 -292 -232 -349 97 -627 -838 -1178 -316 -77 366 291 385 -294 -66 326 472 157 142 -167 -317 147 226 346 71 531 608 553 274 32 -314 -424 256 653 723 796 887 -690 -403 122 210 312 252 -436 -1040 -768 -1039 -927 -803 -667 -960 -571 -632 339 619 408 540 532 402 408 754 279 582 693 1207 1137 915 372 -779 -241 -127 517 1150 999 94 -396 -734 -414 -672 -116 127 414 1190 324 126 -758 -1485 -1374 -1075 -1111 -870 -678 -594 -758 -211 216 316 1372 1474 1420 1008 897 -432 -756 -468 -541 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