Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "11015a2cd04c351a2d4540b27ee15724",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 165.410,
"b": 57.644,
"c": 84.191,
"alpha": 90.0,
"beta": 114.9,
"gamma": 90.0
},
"wavelengths": [0.91839],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.520,2.580],
"number_observations": 158812,
"number_observations_unique": 23065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.250
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "R(pim)",
"value": 0.102
},
{
"type": "I/SigI",
"value": 4.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.650,2.580],
"number_observations": 12122,
"number_observations_unique": 1713,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.247
},
{
"type": "R(meas)",
"value": 1.347
},
{
"type": "R(pim)",
"value": 0.505
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.100
},
{
"type": "CC(1/2)",
"value": 0.411
}
]
},
{
"resolution_limits": [47.520,11.540],
"number_observations": 1898,
"number_observations_unique": 283,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 10.900
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}