Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c2eb6cef9dcd037d71cf08e5afd29a6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.030,
"b": 60.395,
"c": 38.387,
"alpha": 90.00,
"beta": 92.32,
"gamma": 90.00
},
"wavelengths": [1.10000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [38.355,1.595],
"number_observations_unique": 18439,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 38.332
},
{
"type": "Completeness",
"value": 97.7
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.595],
"number_observations_unique": 825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.261
},
{
"type": "I/SigI",
"value": 4.010
},
{
"type": "Completeness",
"value": 85.9
},
{
"type": "Redundancy",
"value": 2.8
}
]
},
{
"resolution_limits": [1.660,1.630],
"number_observations_unique": 847,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "Completeness",
"value": 93.0
},
{
"type": "Redundancy",
"value": 3.1
}
]
},
{
"resolution_limits": [1.690,1.660],
"number_observations_unique": 891,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "Completeness",
"value": 95.5
},
{
"type": "Redundancy",
"value": 3.3
}
]
},
{
"resolution_limits": [1.720,1.690],
"number_observations_unique": 936,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.212
},
{
"type": "Completeness",
"value": 98.1
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [1.760,1.720],
"number_observations_unique": 910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "Completeness",
"value": 98.6
},
{
"type": "Redundancy",
"value": 3.9
}
]
},
{
"resolution_limits": [1.800,1.760],
"number_observations_unique": 934,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.167
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [1.850,1.800],
"number_observations_unique": 933,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "Completeness",
"value": 98.5
},
{
"type": "Redundancy",
"value": 3.9
}
]
},
{
"resolution_limits": [1.900,1.850],
"number_observations_unique": 910,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 98.4
},
{
"type": "Redundancy",
"value": 3.9
}
]
},
{
"resolution_limits": [1.950,1.900],
"number_observations_unique": 942,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [2.020,1.950],
"number_observations_unique": 932,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [2.090,2.020],
"number_observations_unique": 927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 98.9
},
{
"type": "Redundancy",
"value": 3.9
}
]
},
{
"resolution_limits": [2.170,2.090],
"number_observations_unique": 922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [2.270,2.170],
"number_observations_unique": 939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "Redundancy",
"value": 3.9
}
]
},
{
"resolution_limits": [2.390,2.270],
"number_observations_unique": 947,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "Completeness",
"value": 99.5
},
{
"type": "Redundancy",
"value": 3.7
}
]
},
{
"resolution_limits": [2.540,2.390],
"number_observations_unique": 935,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "Redundancy",
"value": 4.0
}
]
},
{
"resolution_limits": [2.740,2.540],
"number_observations_unique": 938,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "Completeness",
"value": 99.9
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [3.010,2.740],
"number_observations_unique": 944,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.6
},
{
"type": "Redundancy",
"value": 4.0
}
]
},
{
"resolution_limits": [3.450,3.010],
"number_observations_unique": 940,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 99.1
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [4.340,3.450],
"number_observations_unique": 929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "Completeness",
"value": 97.4
},
{
"type": "Redundancy",
"value": 3.8
}
]
},
{
"resolution_limits": [38.355,4.340],
"number_observations_unique": 958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 98.0
},
{
"type": "Redundancy",
"value": 3.7
}
]
}
]
}