Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d706fedaaf80fc243d0682b849d6cbb3",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 54.500,
"b": 56.302,
"c": 100.925,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.880,1.810],
"number_observations": 186092,
"number_observations_unique": 28403,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 18.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.860,1.810],
"number_observations": 13015,
"number_observations_unique": 2000,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.956
},
{
"type": "R(meas)",
"value": 1.037
},
{
"type": "R(pim)",
"value": 0.396
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.738
}
]
},
{
"resolution_limits": [28.880,8.110],
"number_observations": 2278,
"number_observations_unique": 382,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.018
},
{
"type": "R(meas)",
"value": 0.020
},
{
"type": "R(pim)",
"value": 0.008
},
{
"type": "I/SigI",
"value": 66.600
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}