Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "87d3bbd9dc8fd2a07ff4f388f6e61215",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 51.906,
"b": 56.698,
"c": 114.747,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [51.910,1.460],
"number_observations": 374172,
"number_observations_unique": 59596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.500,1.460],
"number_observations": 24611,
"number_observations_unique": 4364,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.304
},
{
"type": "R(meas)",
"value": 1.439
},
{
"type": "R(pim)",
"value": 0.596
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.549
}
]
},
{
"resolution_limits": [51.910,6.530],
"number_observations": 4664,
"number_observations_unique": 781,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 34.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}