File name: Pandora55s1_QueensNY_20250403_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20250404T050101.9Z 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 v1.8.75 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20250403_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: 20250403 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 20250403T174544.6Z 9224.740100 281 1 50.49 2 36.69 199.96 51.89 83.16 0.00 1 0.00 1 0 25 8.190e-03 6.016e-03 9.707e-04 6.386e-04 1.739223e-01 3.368196e-04 2.132780e-03 -6.000000e+00 4.861035e-03 227.67 -2.00 3.51 -2.00 315.08 0.00e+00 7.233834e-05 2.923642e-05 2.651330e-05 -6.000000e+00 2.118664e-04 279.11 -2.00 20.00 -2.00 314.53 0.00e+00 1.246 0.000 302.00 328.00 3 3.6089e+00 8.6411e-04 1.5341e-02 -6.0000e+00 1.2079e-02 2.2892e-02 9.5882e-04 8.9197e-03 -6.0000e+00 1.3090e-02 2.0287e-04 5.4825e-04 4.3965e-03 -6.0000e+00 7.7897e-03 -2.7003e-03 2.3955e-04 1.2370e-03 -6.0000e+00 3.2679e-03 3.4657e-03 -2.0264e-04 1.9586e-05 1.8027e-05 -6.0000e+00 2.4428e-04 -5.3986e-03 0.0000e+00 10 0 0 10 0 0 99.99 21.77 0.20 -0.00540 -0.00692 235 44 1 5 0 214.810 26.32 19.99 21.77 22.03 38.0 1098.20 -702 -1973 -1754 -3722 -1461 476 849 2028 1040 -17 -503 1115 624 934 722 -512 -770 -154 712 799 -166 952 1364 540 634 143 -49 -1010 20 1015 1142 1908 1485 -643 -732 732 75 302 366 -487 -1261 -1138 -1235 -1204 -928 -553 -1198 -901 -596 316 589 432 693 962 738 591 848 400 759 783 1184 1335 1172 422 -560 -411 -143 164 1112 860 111 -158 -483 -383 -492 -321 103 472 1083 88 -179 -518 -1489 -1080 -1026 -961 -680 -433 -372 -452 -188 90 109 1025 1163 977 764 728 -196 -436 -179 -421 -47 850 95 -666 -228 -621 -104 -30 -16 -284 -180 -193 -115 360 583 727 644 -20 -418 -245 -58 -126 252 286 365 1188 786 238 384 45 200 68 211 -319 -149 149 -310 -469 -184 -265 -215 -34 -213 -647 -587 -1232 -443 133 235 594 335 -6 -174 378 220 356 299 -229 -358 -73 339 388 -82 472 676 274 333 78 -27 -542 10 491 545 933 763 -344 -389 372 39 168 228 -339 -954 -901 -999 -985 -757 -451 -970 -715 -461 239 447 337 560 799 629 512 744 353 666 683 1034 1193 1093 412 -560 -404 -133 145 969 784 109 -162 -507 -401 -503 -315 95 407 906 75 -164 -507 -1545 -1159 -1138 -1109 -814 -535 -467 -567 -231 106 120 1069 1189 1022 843 852 -242 -555 -225 -514 -55 969 111 -811 -287 -806 -139 -40 -22 -407 -259 -271 -154 459 716 888 802 -26 -566 -338 -80 -172 336 370 458 1439 951 295 492 60 267 92 290 -451 -217 221 -467 -711 -277 -393 -312 -48 SS 20250403T175106.2Z 9224.743822 284 1 49.42 2 37.05 202.10 50.91 83.91 0.00 1 0.00 1 0 25 9.355e-03 6.617e-03 1.513e-03 1.018e-03 1.740675e-01 5.378795e-04 2.132001e-03 -6.000000e+00 5.552468e-03 227.67 -2.00 3.51 -2.00 314.98 0.00e+00 1.311427e-04 4.575968e-05 3.507876e-05 -6.000000e+00 2.420038e-04 279.11 -2.00 20.00 -2.00 314.44 0.00e+00 1.252 0.000 302.00 328.00 3 3.8491e+00 1.3783e-03 1.5385e-02 -6.0000e+00 1.3797e-02 2.6078e-02 1.5288e-03 8.9167e-03 -6.0000e+00 1.4952e-02 9.8487e-04 8.7422e-04 4.3937e-03 -6.0000e+00 8.8977e-03 -2.5502e-03 3.8067e-04 1.2414e-03 -6.0000e+00 3.7327e-03 2.7040e-03 -1.9883e-04 3.1168e-05 1.8168e-05 -6.0000e+00 2.7902e-04 -5.3241e-03 0.0000e+00 12 9 1 12 1 1 99.99 21.78 0.19 -0.00532 -0.00682 50 10 2 5 0 968.760 26.32 20.00 21.78 22.24 38.1 1099.05 -1345 -2115 291 -4480 -1010 600 999 2764 1469 -659 -1037 195 250 969 1820 -174 -1285 -2326 1385 1318 -405 1386 1114 171 520 -94 840 -1119 150 578 1771 1515 1611 -1251 -610 1032 79 134 773 -369 -1616 -682 -1482 -1173 -1151 -195 -1512 -436 -780 474 604 422 560 1130 961 579 1042 431 707 709 1090 1329 1170 341 -519 -392 -303 45 997 944 -75 51 -396 -394 -309 -300 249 616 968 -5 -159 -555 -1423 -1262 -1237 -916 -785 -389 -568 -456 -243 133 170 1073 1115 1248 575 612 -360 -390 -220 -513 -102 955 233 -617 -148 -845 -4 91 -64 -473 -179 -143 -102 381 612 966 608 61 -706 -118 -1 46 144 262 240 1129 817 240 707 19 329 95 199 -177 27 4 -480 -511 -226 -248 -227 -145 -424 -720 99 -1542 -316 174 288 838 489 -234 -372 69 92 381 772 -80 -616 -1141 674 655 -207 704 567 89 279 -52 464 -612 78 287 865 764 848 -687 -331 537 42 76 489 -260 -1237 -543 -1211 -968 -949 -159 -1236 -347 -610 362 463 333 457 945 826 505 918 382 623 622 958 1194 1094 333 -520 -386 -284 40 875 865 -74 53 -416 -413 -317 -296 230 535 816 -4 -147 -546 -1481 -1358 -1373 -1054 -938 -480 -710 -570 -297 156 188 1122 1141 1308 635 715 -444 -494 -277 -625 -119 1088 271 -750 -186 -1092 -5 123 -89 -672 -255 -199 -136 485 751 1174 755 78 -953 -162 -1 62 191 338 301 1367 986 297 902 25 438 128 272 -248 39 5 -718 -770 -337 -365 -328 -208 SS 20250403T175519.1Z 9224.746749 287 1 1.58 2 37.36 203.76 50.14 84.50 0.00 1 0.00 1 0 25 8.662e-03 6.743e-03 3.170e-03 2.312e-03 1.744494e-01 1.226623e-03 2.146942e-03 -6.000000e+00 5.140678e-03 227.67 -2.00 3.51 -2.00 314.58 0.00e+00 -6.783630e-06 9.688893e-05 3.915184e-05 -6.000000e+00 2.240660e-04 279.11 -2.00 20.00 -2.00 314.07 0.00e+00 1.257 0.000 302.00 328.00 3 2.6671e+00 3.1315e-03 1.5440e-02 -6.0000e+00 1.2774e-02 2.2605e-02 3.4679e-03 8.9372e-03 -6.0000e+00 1.3844e-02 -1.0273e-04 1.9854e-03 4.4069e-03 -6.0000e+00 8.2381e-03 -1.8513e-03 8.5433e-04 1.2388e-03 -6.0000e+00 3.4555e-03 8.7884e-03 -2.2173e-04 7.0520e-05 1.8755e-05 -6.0000e+00 2.5835e-04 -4.6942e-03 0.0000e+00 12 9 1 12 1 1 98.85 21.79 0.15 -0.00469 -0.00636 5 36 1 5 0 261.900 26.32 20.00 21.79 22.52 38.0 1100.00 -519 -2150 -2091 -3731 -1152 183 1200 1296 1317 -259 -472 936 744 1874 -103 -19 -463 257 -164 1302 231 712 1965 918 533 -4 -115 -1265 228 716 1202 1701 1749 -1283 -607 324 -269 906 519 -545 -972 -1075 -1467 -1463 -653 -1160 -1266 -470 -482 248 935 237 1107 434 813 474 690 551 266 980 1029 1189 1022 322 -753 -402 44 178 880 734 181 -77 -653 -446 -420 -103 936 232 1086 -305 336 -453 -1542 -1207 -1082 -1223 -604 -199 -428 -491 -290 366 310 1044 1266 916 600 694 -340 -488 -316 -467 219 882 249 -828 -118 -814 -233 277 -154 -472 -305 -124 -309 255 872 898 492 261 -498 -574 -209 -147 -121 250 1034 1120 914 341 631 19 383 -41 222 -9 -287 414 -438 -436 -217 -211 -422 -299 -189 -839 -832 -1465 -419 62 405 462 506 -104 -192 376 309 824 -49 -9 -242 136 -88 706 128 395 1079 517 309 -3 -69 -748 128 387 643 931 995 -758 -355 183 -154 549 347 -403 -768 -884 -1232 -1242 -551 -981 -1060 -385 -387 196 738 193 923 373 714 422 622 497 240 874 922 1087 969 318 -760 -399 41 162 788 684 179 -79 -688 -468 -432 -103 873 206 936 -270 314 -449 -1609 -1300 -1198 -1402 -717 -242 -529 -607 -351 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