Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "29b5d615b128809e57813f61cd6c53b6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.492,
"b": 46.518,
"c": 63.434,
"alpha": 90.00,
"beta": 111.84,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.520,2.050],
"number_observations": 110893,
"number_observations_unique": 20099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.050],
"number_observations": 8448,
"number_observations_unique": 1555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.831
},
{
"type": "R(meas)",
"value": 0.921
},
{
"type": "R(pim)",
"value": 0.389
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.755
}
]
},
{
"resolution_limits": [46.520,8.940],
"number_observations": 1460,
"number_observations_unique": 268,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 25.000
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}