Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8dab61b14e3022607b734183d36083d",
"space_group_name": "P 1",
"unit_cell": {
"a": 59.250,
"b": 70.242,
"c": 85.595,
"alpha": 102.48,
"beta": 96.28,
"gamma": 112.50
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [81.500,2.320],
"number_observations": 169663,
"number_observations_unique": 50873,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "R(meas)",
"value": 0.146
},
{
"type": "R(pim)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
},
"refln_shells": [
{
"resolution_limits": [2.390,2.320],
"number_observations": 13530,
"number_observations_unique": 4452,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.139
},
{
"type": "R(meas)",
"value": 1.419
},
{
"type": "R(pim)",
"value": 0.826
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 90.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.229
}
]
},
{
"resolution_limits": [81.500,9.270],
"number_observations": 3019,
"number_observations_unique": 817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}