Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bcbd98ddc27007c62b2fd57ef8ab9427",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.245,
"b": 63.781,
"c": 80.106,
"alpha": 90.0,
"beta": 96.7,
"gamma": 90.0
},
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [99.000,1.550],
"number_observations_unique": 65875,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "I/SigI",
"value": 8.000
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 4.58
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations_unique": 3106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.440
},
{
"type": "Completeness",
"value": 68.500
}
]
},
{
"resolution_limits": [1.630,1.590],
"number_observations_unique": 3757,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.474
},
{
"type": "Completeness",
"value": 82.600
}
]
},
{
"resolution_limits": [1.670,1.630],
"number_observations_unique": 4316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.476
},
{
"type": "Completeness",
"value": 95.100
}
]
},
{
"resolution_limits": [1.720,1.670],
"number_observations_unique": 4472,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.427
},
{
"type": "Completeness",
"value": 98.200
}
]
},
{
"resolution_limits": [1.770,1.720],
"number_observations_unique": 4506,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.322
},
{
"type": "Completeness",
"value": 99.000
}
]
},
{
"resolution_limits": [1.840,1.770],
"number_observations_unique": 4503,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "Completeness",
"value": 99.100
}
]
},
{
"resolution_limits": [1.910,1.840],
"number_observations_unique": 4534,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.190
},
{
"type": "Completeness",
"value": 99.300
}
]
},
{
"resolution_limits": [2.000,1.910],
"number_observations_unique": 4538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.141
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.100,2.000],
"number_observations_unique": 4544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 99.800
}
]
},
{
"resolution_limits": [2.240,2.100],
"number_observations_unique": 4579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [2.410,2.240],
"number_observations_unique": 4551,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.900
}
]
},
{
"resolution_limits": [2.650,2.410],
"number_observations_unique": 4618,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.030,2.650],
"number_observations_unique": 4563,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [3.820,3.030],
"number_observations_unique": 4609,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 100.000
}
]
},
{
"resolution_limits": [99.000,3.820],
"number_observations_unique": 4679,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "Completeness",
"value": 99.600
}
]
}
]
}