Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "327eed73ec184ed45047138bd6955d0b",
"space_group_name": "P 2 2 21",
"unit_cell": {
"a": 76.684,
"b": 87.224,
"c": 105.725,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97857],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.210,1.620],
"number_observations_unique": 91211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.620],
"number_observations": 51551,
"number_observations_unique": 4202,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.466
},
{
"type": "R(meas)",
"value": 1.528
},
{
"type": "R(pim)",
"value": 0.424
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 94.700
},
{
"type": "Redundancy",
"value": 12.300
},
{
"type": "CC(1/2)",
"value": 0.738
}
]
},
{
"resolution_limits": [45.210,8.850],
"number_observations": 7605,
"number_observations_unique": 649,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 44.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 11.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}