Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4a23a8cfe3e91e48514dc0256d4a5899",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 85.780,
"b": 86.324,
"c": 127.196,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [19.880,2.780],
"number_observations": 328037,
"number_observations_unique": 24364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.274
},
{
"type": "R(meas)",
"value": 0.285
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 9.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [2.930,2.780],
"number_observations": 45788,
"number_observations_unique": 3390,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.854
},
{
"type": "R(meas)",
"value": 0.887
},
{
"type": "R(pim)",
"value": 0.238
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.895
}
]
},
{
"resolution_limits": [19.880,8.780],
"number_observations": 10053,
"number_observations_unique": 788,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 20.200
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}