Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "02a30a27f6e3058177a51cdb8bc43d57",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.670,
"b": 45.339,
"c": 83.359,
"alpha": 90.00,
"beta": 102.12,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.450,1.550],
"number_observations": 229531,
"number_observations_unique": 66241,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.042
},
{
"type": "I/SigI",
"value": 12.700
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.550],
"number_observations": 15830,
"number_observations_unique": 4697,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.764
},
{
"type": "R(meas)",
"value": 0.910
},
{
"type": "R(pim)",
"value": 0.487
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 94.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.644
}
]
},
{
"resolution_limits": [28.450,6.920],
"number_observations": 2707,
"number_observations_unique": 802,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 46.300
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}