Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ad77f753b3a50cd103d135d8700fea0e",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.246,
"b": 70.275,
"c": 85.494,
"alpha": 102.90,
"beta": 96.06,
"gamma": 112.34
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.510,2.140],
"number_observations": 221306,
"number_observations_unique": 64818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.200,2.140],
"number_observations": 16238,
"number_observations_unique": 4654,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.538
},
{
"type": "R(meas)",
"value": 1.818
},
{
"type": "R(pim)",
"value": 0.957
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.368
}
]
},
{
"resolution_limits": [81.510,9.590],
"number_observations": 2774,
"number_observations_unique": 736,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 29.500
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}