Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5f500c8479ebe1e74cb6c313c27ae8ca",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 58.514,
"b": 71.640,
"c": 98.895,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.320,3.110],
"number_observations": 27288,
"number_observations_unique": 7042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "R(meas)",
"value": 0.386
},
{
"type": "R(pim)",
"value": 0.173
},
{
"type": "I/SigI",
"value": 5.700
},
{
"type": "Completeness",
"value": 91.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.977
}
]
},
"refln_shells": [
{
"resolution_limits": [3.330,3.110],
"number_observations": 5048,
"number_observations_unique": 1248,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.817
},
{
"type": "R(meas)",
"value": 2.035
},
{
"type": "R(pim)",
"value": 0.893
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 92.200
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.415
}
]
},
{
"resolution_limits": [45.320,8.810],
"number_observations": 1222,
"number_observations_unique": 323,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 86.500
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}