Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a7e121d219eed9a016ff868e5b8670c1",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 54.886,
"b": 81.802,
"c": 147.629,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97620],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [73.810,1.530],
"number_observations": 669091,
"number_observations_unique": 50545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 24.300
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.200
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.530],
"number_observations": 33413,
"number_observations_unique": 2474,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.003
},
{
"type": "R(meas)",
"value": 1.043
},
{
"type": "R(pim)",
"value": 0.281
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 13.500
},
{
"type": "CC(1/2)",
"value": 0.885
}
]
},
{
"resolution_limits": [73.810,8.380],
"number_observations": 4405,
"number_observations_unique": 365,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.026
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 92.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}