Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0beb29d25cd8e7d09a9a55cbba8be5f6",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.351,
"b": 45.271,
"c": 83.158,
"alpha": 90.00,
"beta": 102.36,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.360,1.780],
"number_observations": 149937,
"number_observations_unique": 43997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.820,1.780],
"number_observations": 10922,
"number_observations_unique": 3198,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.037
},
{
"type": "R(meas)",
"value": 1.240
},
{
"type": "R(pim)",
"value": 0.669
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.415
}
]
},
{
"resolution_limits": [28.360,7.950],
"number_observations": 1806,
"number_observations_unique": 538,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.034
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 44.800
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}