Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d1198249e61078caf355a615adeef1f9",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 84.42,
"b": 115.26,
"c": 163.51,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97872],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20,2.350],
"number_observations_unique": 33545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.116
},
{
"type": "I/SigI",
"value": 20.650
},
{
"type": "Completeness",
"value": 99.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.410,2.350],
"number_observations": 20984,
"number_observations_unique": 2456,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.812
},
{
"type": "I/SigI",
"value": 2.710
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.480,2.410],
"number_observations": 27230,
"number_observations_unique": 2380,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.666
},
{
"type": "I/SigI",
"value": 3.950
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.550,2.480],
"number_observations": 27435,
"number_observations_unique": 2351,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.521
},
{
"type": "I/SigI",
"value": 5.170
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.630,2.550],
"number_observations": 26859,
"number_observations_unique": 2251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.487
},
{
"type": "I/SigI",
"value": 5.650
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.710,2.630],
"number_observations": 26414,
"number_observations_unique": 2181,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.407
},
{
"type": "I/SigI",
"value": 6.840
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.810,2.710],
"number_observations": 26131,
"number_observations_unique": 2127,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.324
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.910,2.810],
"number_observations": 25356,
"number_observations_unique": 2051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.256
},
{
"type": "I/SigI",
"value": 10.740
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.030,2.910],
"number_observations": 24563,
"number_observations_unique": 1986,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 13.620
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.170,3.030],
"number_observations": 23533,
"number_observations_unique": 1893,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 17.090
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.320,3.170],
"number_observations": 22517,
"number_observations_unique": 1817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "I/SigI",
"value": 20.710
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.500,3.320],
"number_observations": 21470,
"number_observations_unique": 1747,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 26.550
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.720,3.500],
"number_observations": 20184,
"number_observations_unique": 1644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 33.260
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.970,3.720],
"number_observations": 19078,
"number_observations_unique": 1563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 37.540
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.290,3.970],
"number_observations": 17460,
"number_observations_unique": 1427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 43.660
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [4.700,4.290],
"number_observations": 16401,
"number_observations_unique": 1348,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 48.770
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [5.250,4.700],
"number_observations": 14823,
"number_observations_unique": 1222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 49.070
},
{
"type": "Completeness",
"value": 100.0
}
]
},
{
"resolution_limits": [6.070,5.250],
"number_observations": 13062,
"number_observations_unique": 1081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 45.920
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [7.430,6.070],
"number_observations": 10964,
"number_observations_unique": 919,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 45.780
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [10.510,7.430],
"number_observations": 8572,
"number_observations_unique": 739,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 52.510
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [20,10.510],
"number_observations": 3755,
"number_observations_unique": 362,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "I/SigI",
"value": 59.160
},
{
"type": "Completeness",
"value": 82.800
}
]
}
]
}