Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3ae89c17db6daef6c965a2549aadfcab",
"space_group_name": "C 2 2 21",
"unit_cell": {
"a": 82.490,
"b": 112.444,
"c": 62.574,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96862],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.820,1.400],
"number_observations_unique": 57267,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.133
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 12.800
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 35523,
"number_observations_unique": 2763,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.173
},
{
"type": "R(meas)",
"value": 0.180
},
{
"type": "R(pim)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [41.820,7.670],
"number_observations": 4740,
"number_observations_unique": 409,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.160
},
{
"type": "R(meas)",
"value": 0.167
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 20.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.973
}
]
}
]
}