Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "417b2723bec3ffa89d889ff5ef695d1c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 147.165,
"b": 160.519,
"c": 244.078,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.050,2.700],
"number_observations": 1225150,
"number_observations_unique": 158692,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.236
},
{
"type": "R(meas)",
"value": 0.252
},
{
"type": "R(pim)",
"value": 0.089
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.750,2.700],
"number_observations_unique": 7775,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.132
},
{
"type": "R(meas)",
"value": 2.277
},
{
"type": "R(pim)",
"value": 0.793
},
{
"type": "I/SigI",
"value": 1.1
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.408
}
]
},
{
"resolution_limits": [49.050,14.790],
"number_observations_unique": 1074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.045
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}