Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c1e0be614cb0162339bfdaa75b77f65b",
"space_group_name": "I 21 3",
"unit_cell": {
"a": 107.771,
"b": 107.771,
"c": 107.771,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97880],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [76.210,1.950],
"number_observations": 129317,
"number_observations_unique": 15364,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 8.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 8387,
"number_observations_unique": 1083,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.325
},
{
"type": "R(meas)",
"value": 1.420
},
{
"type": "R(pim)",
"value": 0.506
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
},
{
"type": "CC(1/2)",
"value": 0.567
}
]
},
{
"resolution_limits": [76.210,8.940],
"number_observations": 1208,
"number_observations_unique": 178,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 6.800
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}