Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "47c13a28f55269dbc74c82d21f191ff6",
"space_group_name": "I 4 2 2",
"unit_cell": {
"a": 145.776,
"b": 145.776,
"c": 248.092,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.690,3.730],
"number_observations": 272824,
"number_observations_unique": 14246,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.679
},
{
"type": "R(pim)",
"value": 0.152
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 19.200
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [4.170,3.730],
"number_observations": 74743,
"number_observations_unique": 3926,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.699
},
{
"type": "R(pim)",
"value": 0.601
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 0.475
}
]
},
{
"resolution_limits": [47.690,8.340],
"number_observations": 24672,
"number_observations_unique": 1381,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 26.000
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 17.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}