Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3f0f556d3aa24458efcc41a0e3621584",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.338,
"b": 70.474,
"c": 85.777,
"alpha": 102.76,
"beta": 96.29,
"gamma": 112.26
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.770,2.230],
"number_observations": 195044,
"number_observations_unique": 58070,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.083
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.053
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.290,2.230],
"number_observations": 15361,
"number_observations_unique": 4580,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.317
},
{
"type": "R(meas)",
"value": 1.572
},
{
"type": "R(pim)",
"value": 0.845
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.472
}
]
},
{
"resolution_limits": [81.770,9.450],
"number_observations": 2896,
"number_observations_unique": 782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.038
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 32.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}