Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "933c4da4348f4315662e66d37337e5d5",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 70.47,
"b": 73.76,
"c": 77.72,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [70.470,1.206],
"number_observations_unique": 239737,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 23.000
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.240,1.210],
"number_observations": 90239,
"number_observations_unique": 9087,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.712
},
{
"type": "R(meas)",
"value": 0.753
},
{
"type": "R(pim)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 3.200
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 9.900
},
{
"type": "CC(1/2)",
"value": 0.826
}
]
},
{
"resolution_limits": [70.470,5.390],
"number_observations": 13616,
"number_observations_unique": 1489,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 41.300
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.974
}
]
}
]
}