File name: Pandora55s1_QueensNY_20240501_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T134531.4Z 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_20240501_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: 20240501 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 20240501T123536.2Z 8887.524725 218 1 4.86 2 60.62 94.86 65.67 199.48 0.00 1 0.00 1 0 25 1.745e-02 7.082e-03 8.839e-03 2.924e-03 3.158211e-01 1.532628e-03 3.787933e-03 -6.000000e+00 1.044424e-02 230.02 -2.00 3.51 -2.00 317.07 0.00e+00 2.998398e-04 2.089934e-04 7.702918e-05 -6.000000e+00 4.572354e-04 282.22 -2.00 20.00 -2.00 316.36 0.00e+00 2.029 0.000 302.00 328.00 3 2.5098e+00 4.0422e-03 2.6227e-02 -6.0000e+00 2.6070e-02 3.0003e-02 4.5223e-03 1.6385e-02 -6.0000e+00 2.8197e-02 -8.4586e-03 2.6793e-03 8.0047e-03 -6.0000e+00 1.6778e-02 5.2873e-05 1.2909e-03 2.2288e-03 -6.0000e+00 7.0198e-03 3.7151e-03 -4.6295e-04 8.9022e-05 2.8400e-05 -6.0000e+00 5.2101e-04 -1.1936e-04 0.0000e+00 12 9 1 12 1 1 98.44 22.79 0.27 -0.00012 -0.00360 6 14 2 5 0 693.600 26.11 19.98 22.79 22.17 36.6 1087.89 -1999 -6689 4563 -6870 -6132 750 -3308 6642 -4563 3592 -835 4232 -3341 1610 2754 551 -1499 -2854 3864 -496 915 918 2537 -1738 1862 -1576 1989 -1455 -13 792 868 2641 -1107 -790 -1050 2980 -971 -313 -20 -1094 -1503 -636 -1182 -2795 106 1 -927 -1111 -237 540 95 907 323 1142 645 1433 958 1022 238 1686 663 1109 645 430 -211 -1183 294 148 1874 747 158 265 -406 -1072 -651 170 -33 505 1048 661 243 32 -1488 -1201 -1204 -654 -1217 -590 -548 -138 -8 150 154 1030 1976 798 888 342 -149 -460 -425 -649 119 985 -466 -665 -598 -857 -53 133 -2 -9 -301 -331 -200 45 1215 804 1168 -358 -717 -282 159 -120 359 -248 274 1264 1074 47 232 6 548 138 138 -413 117 -147 -499 -426 -580 -62 228 91 -211 -821 533 -870 -725 79 -366 733 -616 481 -120 595 -540 282 541 122 -361 -723 966 -133 248 252 694 -508 556 -503 626 -461 -4 232 259 828 -383 -286 -380 1023 -349 -123 -9 -549 -826 -367 -705 -1715 64 1 -563 -670 -141 320 57 571 214 783 459 1035 707 758 177 1232 489 837 513 360 -182 -1026 243 118 1489 630 143 251 -393 -1039 -613 153 -28 404 825 542 215 31 -1511 -1265 -1313 -738 -1430 -712 -671 -168 -10 171 167 1069 2028 856 1007 415 -191 -609 -560 -828 144 1162 -564 -834 -776 -1143 -73 188 -3 -14 -458 -497 -290 63 1628 1077 1593 -510 -1053 -420 234 -176 511 -346 371 1660 1415 64 330 9 821 210 215 -663 193 -247 -847 -727 -980 -102 368 145 SS 20240501T123941.9Z 8887.527569 221 1 50.48 2 59.85 95.57 65.92 200.45 0.00 1 0.00 1 0 25 9.840e-03 6.201e-03 1.554e-03 5.001e-04 3.075201e-01 2.622753e-04 3.699500e-03 -6.000000e+00 5.887906e-03 230.02 -2.00 3.51 -2.00 317.14 0.00e+00 -8.058717e-06 3.638818e-05 9.514283e-05 -6.000000e+00 2.577569e-04 282.22 -2.00 20.00 -2.00 316.43 0.00e+00 1.982 0.000 302.00 328.00 3 2.1716e+00 6.9264e-04 2.5607e-02 -6.0000e+00 1.4697e-02 2.3401e-02 7.7528e-04 1.5991e-02 -6.0000e+00 1.5896e-02 -2.3299e-03 4.6021e-04 7.8175e-03 -6.0000e+00 9.4586e-03 -2.6719e-03 2.2214e-04 2.1601e-03 -6.0000e+00 3.9576e-03 5.5400e-03 -3.1865e-04 1.5313e-05 2.7464e-05 -6.0000e+00 2.9370e-04 -4.1663e-04 0.0000e+00 10 0 0 10 0 0 99.96 22.78 0.25 -0.00042 -0.00281 402 76 1 5 0 125.550 26.11 20.01 22.78 22.42 36.7 1089.71 -2369 -3219 -2765 -4600 -2789 -1234 -1055 1447 543 -1414 -807 -249 -309 272 1289 -613 -626 -875 975 583 -401 1141 1335 223 241 22 -46 -682 25 1072 1370 1875 1437 -1185 -707 465 175 389 512 -624 -1206 -983 -1280 -1112 -864 -402 -1179 -772 -613 408 582 581 735 1012 609 653 923 325 780 929 1382 1422 1210 469 -591 -79 106 421 1371 919 171 -196 -654 -515 -634 -202 298 735 1304 352 92 -588 -1488 -1256 -1117 -1130 -826 -537 -457 -660 -136 249 396 1323 1402 1327 910 816 -310 -509 -356 -543 -85 754 -52 -807 -263 -752 -81 -23 -113 -350 -249 -125 -89 560 730 869 574 -127 -596 -417 -304 -260 118 171 478 1429 1005 408 511 -12 275 180 215 -234 -90 96 -456 -467 -233 -215 -215 71 -243 -375 -337 -559 -308 -125 -109 161 68 -195 -114 -36 -48 45 245 -133 -147 -217 248 155 -103 293 346 61 70 7 -14 -208 7 294 382 563 474 -425 -251 158 61 142 223 -305 -636 -559 -763 -676 -527 -244 -718 -461 -360 237 346 368 473 689 436 458 662 237 562 693 1030 1050 965 388 -517 -68 85 335 1086 756 150 -187 -648 -505 -595 -183 255 575 990 287 80 -555 -1487 -1339 -1205 -1300 -970 -662 -555 -797 -163 288 438 1348 1409 1416 1032 988 -400 -668 -462 -690 -103 905 -61 -1032 -342 -989 -110 -32 -169 -532 -384 -187 -129 777 993 1171 776 -183 -883 -631 -454 -377 170 236 649 1840 1301 562 728 -18 415 279 334 -373 -149 160 -778 -801 -392 -361 -346 116 SS 20240501T124514.9Z 8887.531422 224 1 51.13 2 58.80 96.54 66.27 201.77 0.00 1 0.00 1 0 25 9.467e-03 6.229e-03 4.833e-04 1.930e-04 2.972323e-01 1.013394e-04 3.582608e-03 -6.000000e+00 5.664750e-03 230.02 -2.00 3.51 -2.00 316.71 0.00e+00 1.599991e-05 1.256473e-05 7.453011e-05 -6.000000e+00 2.479996e-04 282.22 -2.00 20.00 -2.00 316.00 0.00e+00 1.923 0.000 302.00 328.00 3 4.3897e-01 2.6575e-04 2.4775e-02 -6.0000e+00 1.4140e-02 1.1343e-02 2.9663e-04 1.5401e-02 -6.0000e+00 1.5293e-02 -6.3131e-03 1.7304e-04 7.5321e-03 -6.0000e+00 9.1003e-03 1.8190e-04 8.1327e-05 2.0836e-03 -6.0000e+00 3.8073e-03 3.4003e-02 -4.0815e-04 5.8864e-06 2.7265e-05 -6.0000e+00 2.8259e-04 2.3839e-05 0.0000e+00 10 0 0 10 0 0 84.52 22.79 0.21 0.00002 -0.00304 1386 262 1 5 0 36.410 26.11 20.01 22.79 22.78 36.8 1092.25 -2332 -2465 -3571 -4171 -3054 -1853 -681 -100 167 -1334 -558 139 790 423 432 -440 -327 -274 316 552 -186 1018 1160 774 398 152 -729 -691 213 1389 1272 1622 1520 -972 -706 -25 249 356 522 -552 -1084 -941 -1063 -916 -707 -530 -870 -648 -671 487 763 677 925 788 708 667 828 328 651 812 1427 1232 1217 521 -654 -95 3 360 1193 832 138 -274 -691 -514 -821 -206 172 474 1274 224 59 -686 -1463 -1292 -1079 -1120 -792 -611 -456 -665 -138 265 413 1279 1363 1297 876 773 -360 -508 -416 -559 -16 710 15 -763 -311 -744 -95 -89 -82 -343 -243 -109 -38 559 807 812 631 -101 -593 -455 -234 -265 214 199 527 1422 1037 442 541 5 320 134 246 -297 -186 111 -430 -454 -245 -255 -259 19 -326 -358 -551 -632 -458 -257 -94 -15 26 -229 -97 25 151 93 101 -117 -93 -82 92 166 -58 317 364 254 139 56 -275 -253 73 456 425 582 596 -387 -279 -9 96 154 253 -302 -639 -569 -671 -590 -457 -342 -559 -409 -416 314 478 451 628 567 534 496 629 253 497 610 1070 965 983 457 -583 -83 2 302 995 722 129 -266 -670 -513 -785 -189 148 391 1017 192 52 -655 -1488 -1349 -1189 -1270 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