File name: Pandora55s1_QueensNY_20230620_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T114551.3Z 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_20230620_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: 20230620 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 20230620T135909.9Z 8571.582754 191 1 49.83 2 40.89 101.12 62.96 78.65 0.00 1 0.00 1 0 17 2.150e-02 9.619e-03 3.532e-03 1.997e-03 2.012282e-01 1.066799e-03 2.386565e-03 -6.000000e+00 1.299617e-02 232.91 -2.00 3.51 -2.00 315.72 0.00e+00 -2.388695e-04 1.063386e-04 3.626839e-05 -6.000000e+00 5.749518e-04 287.20 -2.00 20.00 -2.00 314.98 0.00e+00 1.321 0.000 302.00 328.00 3 5.6336e+00 2.7810e-03 1.6971e-02 -6.0000e+00 3.2617e-02 2.8676e-02 3.0849e-03 1.0452e-02 -6.0000e+00 3.5176e-02 -2.9342e-03 1.7615e-03 5.0542e-03 -6.0000e+00 2.0944e-02 1.9012e-03 7.8064e-04 1.3869e-03 -6.0000e+00 8.7501e-03 3.9904e-04 -2.5343e-04 6.1228e-05 1.8817e-05 -6.0000e+00 6.4242e-04 3.3117e-03 0.0000e+00 12 9 8 11 32 0 99.92 22.66 0.43 0.00331 0.00141 17 3 1 5 0 2930.230 26.00 20.00 22.66 27.72 35.2 1092.25 -7963 -6186 10906 -9431 252 -1062 -203 6394 1469 -2533 -3529 -1198 -3243 -333 5004 1190 -4985 5830 445 4117 2454 577 811 -2204 600 -905 5023 -1635 -1419 -1442 209 1088 333 897 -1704 877 -2766 2859 284 -171 -1944 435 -2280 481 -1380 1239 -2511 490 -691 743 -450 -369 -283 2024 1879 286 2172 553 1442 429 1258 2357 642 1478 -93 -1816 504 -1148 590 772 -1075 247 461 -821 758 -499 39 503 81 -1694 -1091 -384 -1045 -952 -1534 -715 -1006 -299 -331 -187 -97 -161 -86 950 43 540 187 166 -275 -337 15 -594 -264 899 556 -813 -167 -953 319 850 412 -436 371 79 -564 9 311 999 338 134 -896 -303 424 891 132 914 47 808 237 -345 822 99 499 196 550 -195 243 299 -446 -746 -477 142 -794 -394 -1983 -1640 2560 -2558 58 -232 -44 1430 375 -705 -1001 -333 -965 -106 1669 441 -2024 2222 181 1670 1025 247 347 -990 275 -432 2305 -769 -632 -617 88 473 153 423 -811 397 -1307 1413 162 -110 -1376 318 -1740 365 -1057 933 -1917 359 -500 525 -324 -274 -219 1593 1521 238 1817 468 1210 360 1054 2015 581 1390 -90 -1747 453 -996 503 691 -1043 250 475 -850 757 -480 35 422 66 -1452 -998 -375 -1081 -1023 -1712 -828 -1217 -372 -418 -236 -119 -189 -95 988 45 571 210 198 -346 -437 20 -736 -312 1036 656 -1008 -213 -1260 429 1172 588 -639 544 113 -778 12 392 1249 433 180 -1252 -430 598 1235 179 1201 60 1000 294 -441 1083 134 685 272 778 -285 366 459 -695 -1172 -742 216 -1195 -585 SS 20230620T140911.4Z 8571.589716 197 1 16.44 2 39.03 103.24 61.15 80.06 0.00 1 0.00 1 0 25 9.538e-03 6.645e-03 2.452e-03 1.616e-03 1.908700e-01 8.682699e-04 2.308629e-03 -6.000000e+00 5.764581e-03 232.91 -2.00 3.51 -2.00 315.11 0.00e+00 7.931447e-05 7.653820e-05 4.806948e-05 -6.000000e+00 2.550803e-04 287.20 -2.00 20.00 -2.00 314.43 0.00e+00 1.286 0.000 302.00 328.00 3 4.2430e+00 2.2497e-03 1.6389e-02 -6.0000e+00 1.4468e-02 1.4481e-02 2.4876e-03 9.9851e-03 -6.0000e+00 1.5604e-02 1.1425e-04 1.4185e-03 4.8421e-03 -6.0000e+00 9.2903e-03 -1.5136e-03 6.1519e-04 1.3275e-03 -6.0000e+00 3.8804e-03 1.7027e-03 -4.1580e-04 4.9269e-05 1.9326e-05 -6.0000e+00 2.8504e-04 4.9374e-03 0.0000e+00 12 9 1 12 1 1 99.88 22.66 0.12 0.00494 0.00181 12 8 1 5 0 1250.460 26.00 20.03 22.66 28.62 35.2 1097.05 -2063 -3125 -486 -4612 -925 -242 946 2714 2001 -699 -1339 716 -438 1098 1588 -564 -1560 611 1719 1561 -169 771 690 273 133 482 193 -907 -15 747 1062 2153 1512 -1163 -648 418 81 25 810 -511 -1332 -598 -1465 -1054 -906 -323 -964 -443 -641 222 606 623 399 1034 611 515 1245 541 648 734 1025 1597 1089 289 -790 -540 -194 271 1305 1004 -171 -146 -453 -675 -421 -422 -8 615 876 -164 -264 -682 -1631 -1294 -967 -1157 -694 -489 -246 -537 -74 87 165 1304 1150 1084 451 763 -260 -330 -268 -378 382 943 291 -730 -440 -701 113 -16 46 -362 -183 -320 -178 309 754 611 497 -55 -563 -274 -70 -56 254 236 484 1341 920 257 622 54 403 157 253 -365 -54 222 -514 -617 -294 -121 -379 -112 -625 -1021 -159 -1518 -276 -68 264 799 643 -240 -464 244 -157 420 656 -252 -725 285 812 755 -84 383 344 139 70 260 105 -484 -7 365 516 1072 790 -634 -348 217 43 14 510 -357 -1003 -467 -1174 -852 -732 -260 -771 -348 -494 168 460 487 324 860 522 445 1087 476 567 639 896 1423 1011 280 -783 -527 -180 240 1144 922 -168 -149 -474 -704 -429 -413 -7 535 744 -144 -246 -675 -1704 -1394 -1073 -1334 -828 -600 -306 -667 -90 101 182 1364 1185 1148 503 897 -321 -418 -338 -460 445 1078 341 -893 -555 -907 149 -22 63 -515 -261 -446 -239 395 931 751 625 -72 -764 -378 -96 -76 337 305 608 1634 1121 322 802 71 540 212 349 -520 -79 329 -774 -934 -442 -179 -551 -162 SS 20230620T141438.1Z 8571.593496 200 1 50.33 2 38.03 104.43 60.17 80.83 0.00 1 0.00 1 0 17 9.627e-03 6.684e-03 1.422e-03 9.302e-04 1.884700e-01 4.997204e-04 2.277227e-03 -6.000000e+00 5.817978e-03 232.91 -2.00 3.51 -2.00 315.14 0.00e+00 8.172814e-05 4.428872e-05 4.780240e-05 -6.000000e+00 2.574535e-04 287.20 -2.00 20.00 -2.00 314.45 0.00e+00 1.268 0.000 302.00 328.00 3 4.3502e+00 1.2952e-03 1.6169e-02 -6.0000e+00 1.4602e-02 1.6853e-02 1.4324e-03 9.8554e-03 -6.0000e+00 1.5748e-02 8.4303e-04 8.1675e-04 4.7785e-03 -6.0000e+00 9.3764e-03 -2.4801e-03 3.5450e-04 1.3099e-03 -6.0000e+00 3.9161e-03 1.5623e-03 -4.2795e-04 2.8386e-05 1.9023e-05 -6.0000e+00 2.8770e-04 5.2575e-03 0.0000e+00 11 8 0 10 0 0 99.96 22.66 0.25 0.00526 0.00204 44 8 1 5 0 1143.520 26.00 20.03 22.66 29.44 35.3 1100.00 -1867 -2628 45 -4608 -1796 965 465 3289 870 -834 -1424 568 -46 876 1580 -424 -1398 80 1385 1154 814 671 1693 197 518 -4 907 -892 -11 846 895 1886 1368 -1617 -942 1235 -518 140 619 -349 -1310 -992 -1395 -1408 -947 -509 -1339 -552 -633 499 680 314 522 1145 865 406 1146 369 778 1000 1173 1496 1065 239 -716 -740 194 127 1010 919 -63 -304 -291 -556 -306 -316 209 816 1100 44 -429 -657 -1582 -1017 -1125 -879 -874 -352 -415 -571 -85 15 397 1001 1322 1052 735 648 -256 -569 -221 -424 77 983 217 -693 -485 -685 9 172 117 -437 -217 -234 -126 346 581 793 686 -26 -618 -452 -22 -100 160 162 455 1258 958 291 524 39 205 320 139 -221 -49 192 -391 -586 -280 -287 -213 -95 -559 -849 15 -1499 -533 264 129 951 278 -283 -489 192 -16 333 648 -188 -646 37 651 556 400 331 830 100 271 -2 487 -474 -6 409 432 934 710 -877 -504 633 -272 79 388 -243 -986 -777 -1119 -1141 -765 -410 -1072 -433 -486 376 515 246 422 950 736 351 1001 324 681 868 1022 1334 990 232 -711 -722 179 113 886 845 -62 -312 -304 -580 -312 -309 192 706 931 39 -399 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