Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b7980b44acf5542b53c26ae02c91302a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 87.068,
"b": 106.070,
"c": 207.674,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.350,2.700],
"number_observations": 351017,
"number_observations_unique": 53554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.780,2.700],
"number_observations": 25864,
"number_observations_unique": 4475,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.941
},
{
"type": "R(pim)",
"value": 0.419
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.698
}
]
},
{
"resolution_limits": [35.350,11.130],
"number_observations": 5311,
"number_observations_unique": 849,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 31.200
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}