Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9185840cb037ed82361479db275958ea",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.031,
"b": 70.146,
"c": 85.409,
"alpha": 103.02,
"beta": 96.17,
"gamma": 112.22
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.240,2.110],
"number_observations": 228615,
"number_observations_unique": 66803,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.118
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 6.300
},
{
"type": "Completeness",
"value": 96.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.110],
"number_observations": 14954,
"number_observations_unique": 4216,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.698
},
{
"type": "R(meas)",
"value": 1.998
},
{
"type": "R(pim)",
"value": 1.042
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.440
}
]
},
{
"resolution_limits": [81.240,9.910],
"number_observations": 2526,
"number_observations_unique": 655,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 28.800
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}