Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c746a76ccb6fa2702a16991057b3ef7a",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 43.706,
"b": 54.209,
"c": 66.089,
"alpha": 90.00,
"beta": 106.73,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.290,1.360],
"number_observations": 388613,
"number_observations_unique": 60971,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.070
},
{
"type": "R(meas)",
"value": 0.076
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.390,1.360],
"number_observations": 2843,
"number_observations_unique": 1340,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.871
},
{
"type": "R(meas)",
"value": 1.143
},
{
"type": "R(pim)",
"value": 0.728
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 43.200
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.419
}
]
},
{
"resolution_limits": [63.290,7.470],
"number_observations": 2220,
"number_observations_unique": 399,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 28.000
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}