Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c7388ec32a916192edf71a82a4f078a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 93.312,
"b": 61.839,
"c": 56.808,
"alpha": 90.00,
"beta": 102.79,
"gamma": 90.00
},
"wavelengths": [1.00004],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.18,1.900],
"number_observations_unique": 24697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.025
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.940,1.900],
"number_observations": 6357,
"number_observations_unique": 1600,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.237
},
{
"type": "R(meas)",
"value": 0.275
},
{
"type": "R(pim)",
"value": 0.138
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
{
"resolution_limits": [40.150,9.110],
"number_observations": 892,
"number_observations_unique": 241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 19.900
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}