Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "13d57f6bac257bf6bcc0a1df753e5479",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.012,
"b": 70.286,
"c": 85.452,
"alpha": 102.69,
"beta": 96.40,
"gamma": 112.44
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.360,2.430],
"number_observations": 152474,
"number_observations_unique": 44483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.176
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 5.600
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.520,2.430],
"number_observations": 15107,
"number_observations_unique": 4588,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.449
},
{
"type": "R(meas)",
"value": 1.757
},
{
"type": "R(pim)",
"value": 0.973
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.495
}
]
},
{
"resolution_limits": [81.360,9.090],
"number_observations": 3208,
"number_observations_unique": 866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.046
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}