Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b8536b50287363a672a85ead0e02c58c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.65,
"b": 93.86,
"c": 93.19,
"alpha": 90.00,
"beta": 107.84,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.780,1.760],
"number_observations": 321017,
"number_observations_unique": 92722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.046
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.810,1.760],
"number_observations": 23180,
"number_observations_unique": 6859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.992
},
{
"type": "R(meas)",
"value": 1.180
},
{
"type": "R(pim)",
"value": 0.632
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.552
}
]
},
{
"resolution_limits": [54.780,7.870],
"number_observations": 3870,
"number_observations_unique": 1081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 38.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}