Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "099103636ef7b9a679af065d1f5fbc6c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.661,
"b": 52.591,
"c": 46.310,
"alpha": 90.00,
"beta": 102.94,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.510,1.900],
"number_observations": 70653,
"number_observations_unique": 20929,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.096
},
{
"type": "I/SigI",
"value": 8.400
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 4291,
"number_observations_unique": 1316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.881
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.682
}
]
},
{
"resolution_limits": [47.510,9.110],
"number_observations": 660,
"number_observations_unique": 211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 16.800
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}