File name: Pandora55s1_QueensNY_20240622_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T140636.6Z 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_20240622_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: 20240622 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 20240622T122307.4Z 8939.516057 271 1 9.73 2 59.12 84.48 119.36 255.98 0.00 1 0.00 1 0 25 9.920e-03 6.312e-03 3.641e-03 1.517e-03 2.710590e-01 8.053520e-04 3.249634e-03 -6.000000e+00 5.997558e-03 232.90 -2.00 3.51 -2.00 316.63 0.00e+00 -9.087284e-05 9.853684e-05 5.184021e-05 -6.000000e+00 2.656122e-04 287.48 -2.00 20.00 -2.00 315.83 0.00e+00 1.940 0.000 302.00 328.00 3 2.8683e+00 2.1230e-03 2.4179e-02 -6.0000e+00 1.5051e-02 -1.1932e-02 2.3650e-03 1.4251e-02 -6.0000e+00 1.6230e-02 -3.2833e-03 1.3680e-03 6.8863e-03 -6.0000e+00 9.6651e-03 -8.1411e-04 6.3563e-04 1.8682e-03 -6.0000e+00 4.0398e-03 3.1261e-03 -4.6266e-04 4.6719e-05 2.4623e-05 -6.0000e+00 2.9642e-04 2.4670e-03 0.0000e+00 12 1 1 12 1 1 87.33 22.72 0.14 0.00247 -0.00101 22 22 1 5 0 422.760 26.11 19.99 22.72 36.09 37.8 1100.00 -1326 -2565 545 -4767 -1816 437 -469 3751 1143 -453 -887 1281 -468 -1484 1763 205 -727 -1150 812 881 -521 877 1591 834 928 430 342 -643 -475 897 1816 2275 1394 -1086 -1339 -37 -58 411 246 -908 -1414 -1019 -1326 -1449 -1011 -973 -1033 -843 -776 484 83 639 371 685 956 608 934 278 704 249 1512 1338 1313 146 -345 -31 -8 488 1450 1112 392 -53 -326 -480 -430 -58 471 540 1243 109 -49 -507 -1501 -1162 -1017 -980 -684 -458 -488 -495 100 273 372 1421 1465 1224 630 682 -302 -585 -546 -851 1 617 25 -817 -494 -768 -215 -5 -42 -337 -273 -83 -114 506 808 844 618 -229 -570 -306 -250 -244 280 98 269 1207 874 451 613 50 242 172 282 -214 -43 250 -468 -493 -248 -242 -424 204 -193 -416 89 -798 -278 62 -68 569 196 -84 -167 242 -96 -339 438 56 -212 -347 249 279 -171 288 523 284 329 159 128 -237 -169 305 622 817 536 -442 -544 -14 -23 178 120 -501 -850 -642 -859 -953 -666 -642 -677 -546 -495 306 54 426 259 494 709 461 720 216 546 192 1163 1055 1086 127 -309 -28 -7 399 1181 953 360 -51 -321 -472 -412 -53 407 442 999 91 -44 -487 -1529 -1227 -1111 -1110 -805 -555 -600 -608 119 314 406 1480 1511 1306 713 818 -384 -766 -711 -1073 1 725 30 -1022 -639 -1021 -292 -7 -61 -501 -409 -123 -163 688 1064 1106 830 -320 -825 -449 -365 -352 395 134 361 1568 1139 607 856 72 354 255 427 -335 -69 409 -777 -821 -409 -393 -676 321 SS 20240622T123328.7Z 8939.523248 274 1 50.51 2 57.16 86.06 121.18 257.36 0.00 1 0.00 1 0 25 8.630e-03 6.255e-03 1.008e-03 4.584e-04 2.584447e-01 2.440405e-04 3.110652e-03 -6.000000e+00 5.217845e-03 232.90 -2.00 3.51 -2.00 316.42 0.00e+00 -9.278599e-05 2.829361e-05 5.589812e-05 -6.000000e+00 2.310782e-04 287.48 -2.00 20.00 -2.00 315.63 0.00e+00 1.838 0.000 302.00 328.00 3 2.2997e+00 6.4120e-04 2.2965e-02 -6.0000e+00 1.3094e-02 -1.5912e-02 7.1309e-04 1.3596e-02 -6.0000e+00 1.4120e-02 -4.0168e-03 4.1056e-04 6.5753e-03 -6.0000e+00 8.4085e-03 -1.1057e-03 1.8856e-04 1.7867e-03 -6.0000e+00 3.5147e-03 6.2431e-03 -4.1540e-04 1.4139e-05 2.3986e-05 -6.0000e+00 2.5788e-04 2.3415e-03 0.0000e+00 10 0 0 10 0 0 93.60 22.71 0.23 0.00234 -0.00078 245 46 1 5 0 206.140 26.11 19.99 22.71 37.16 37.8 1100.00 -1197 -1960 -1404 -3941 -1469 -255 399 1970 1450 -846 -357 612 849 -607 1228 -320 -588 -190 480 687 -355 895 1330 670 713 17 -44 -740 277 1127 1363 1745 1503 -1094 -877 250 32 227 478 -596 -1432 -1015 -1346 -1175 -891 -731 -1161 -1059 -797 182 635 479 750 828 547 642 785 72 567 772 1298 1177 1161 397 -619 -182 145 435 1444 1094 325 -76 -473 -418 -612 -125 157 548 1199 230 -47 -695 -1459 -1163 -993 -858 -611 -351 -393 -481 -67 299 501 1312 1390 1337 900 731 -432 -623 -499 -608 -81 713 57 -892 -370 -765 -136 -63 -134 -424 -256 -129 -86 485 815 799 633 -101 -595 -485 -245 -295 148 146 521 1399 914 366 527 41 369 230 335 -260 -167 112 -437 -473 -262 -261 -196 100 -203 -346 -256 -716 -258 -41 65 347 288 -171 -73 126 188 -154 325 -95 -188 -63 165 228 -123 308 460 241 272 7 -18 -295 103 399 485 661 617 -456 -384 104 14 103 241 -340 -881 -670 -884 -785 -597 -489 -772 -723 -531 119 422 321 536 625 412 497 621 58 452 606 1020 965 979 348 -570 -163 126 355 1164 958 306 -75 -462 -421 -593 -116 137 458 967 198 -43 -662 -1475 -1251 -1085 -965 -732 -426 -491 -597 -80 342 541 1350 1459 1424 1019 885 -541 -820 -649 -771 -98 825 68 -1116 -472 -1027 -184 -87 -191 -632 -385 -188 -121 645 1054 1025 847 -141 -854 -715 -358 -420 209 196 687 1808 1186 485 723 57 533 340 498 -399 -269 180 -724 -789 -430 -414 -308 153 SS 20240622T124334.7Z 8939.530263 277 1 50.43 2 55.25 87.64 122.95 258.72 0.00 1 0.00 1 0 25 8.586e-03 6.336e-03 6.619e-04 3.271e-04 2.466986e-01 1.739693e-04 2.971130e-03 -6.000000e+00 5.191096e-03 232.90 -2.00 3.51 -2.00 316.19 0.00e+00 -4.115357e-05 1.915320e-05 4.680306e-05 -6.000000e+00 2.298969e-04 287.48 -2.00 20.00 -2.00 315.41 0.00e+00 1.749 0.000 302.00 328.00 3 1.7388e+00 4.5601e-04 2.1876e-02 -6.0000e+00 1.3027e-02 -1.5748e-02 5.0704e-04 1.2963e-02 -6.0000e+00 1.4048e-02 -4.3158e-03 2.9025e-04 6.2709e-03 -6.0000e+00 8.3654e-03 -1.2805e-03 1.3149e-04 1.7039e-03 -6.0000e+00 3.4966e-03 1.2164e-02 -4.0073e-04 1.0079e-05 2.2903e-05 -6.0000e+00 2.5656e-04 2.4289e-03 0.0000e+00 10 0 0 10 0 0 61.18 22.51 0.22 0.00243 -0.00058 466 88 1 5 0 108.200 26.11 19.98 22.51 38.45 37.9 1100.00 -793 -1711 -2386 -3636 -1576 -406 954 1169 1511 -814 -73 608 1185 64 786 -188 -368 37 368 630 -341 970 1105 912 564 226 -431 -650 424 1442 1631 1734 1523 -1107 -616 54 93 331 531 -621 -1314 -987 -1351 -1223 -1052 -786 -1247 -925 -873 169 548 468 754 738 493 497 732 114 611 667 1371 1182 1106 500 -576 -74 56 511 1457 1117 300 -105 -510 -400 -731 -194 243 537 1305 245 55 -752 -1411 -1164 -905 -940 -613 -432 -353 -506 -134 312 362 1365 1413 1337 817 710 -420 -563 -477 -627 -9 703 -13 -815 -304 -824 -163 -118 -140 -429 -329 -177 -71 556 811 814 601 -24 -596 -414 -276 -307 172 201 505 1373 1068 433 526 8 292 157 270 -283 -186 134 -459 -456 -218 -227 -252 86 -150 -362 -491 -791 -308 -73 171 230 331 -181 -16 138 286 17 227 -61 -127 13 136 225 -127 359 411 351 230 97 -189 -275 168 540 613 693 658 -485 -282 24 42 156 280 -369 -843 -679 -924 -851 -734 -546 -861 -623 -602 114 376 323 554 546 381 395 593 94 497 536 1100 991 954 446 -539 -67 50 422 1241 987 285 -104 -503 -407 -716 -183 215 453 1058 212 51 -719 -1428 -1252 -988 -1057 -735 -525 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