Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "13eb2cb5b1e2fd500cdf616da4516238",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 111.98,
"b": 27.41,
"c": 38.25,
"alpha": 90.00,
"beta": 96.35,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [26.610,1.130],
"number_observations": 104198,
"number_observations_unique": 39799,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 16.700
},
{
"type": "Completeness",
"value": 91.100
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.160,1.130],
"number_observations": 1775,
"number_observations_unique": 1474,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.470
},
{
"type": "R(meas)",
"value": 0.658
},
{
"type": "R(pim)",
"value": 0.459
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 46.000
},
{
"type": "Redundancy",
"value": 1.200
},
{
"type": "CC(1/2)",
"value": 0.558
}
]
},
{
"resolution_limits": [26.610,5.050],
"number_observations": 1522,
"number_observations_unique": 514,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.016
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 55.700
},
{
"type": "Completeness",
"value": 95.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}