Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "de7a54546ce4705cbc792cfa7c458aab",
"space_group_name": "I 4 3 2",
"unit_cell": {
"a": 152.69,
"b": 152.69,
"c": 152.69,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07227,1.73769,1.74502],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.28,2.18],
"number_observations_unique": 16176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.122
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.6
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 21.3
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.30,2.18],
"number_observations_unique": 2300,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.573
},
{
"type": "R(meas)",
"value": 1.641
},
{
"type": "R(pim)",
"value": 0.347
},
{
"type": "I/SigI",
"value": 2.2
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 22.1
},
{
"type": "CC(1/2)",
"value": 0.839
}
]
},
{
"resolution_limits": [2.79,2.65],
"number_observations_unique": 1303,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.520
},
{
"type": "R(meas)",
"value": 1.611
},
{
"type": "R(pim)",
"value": 0.402
},
{
"type": "I/SigI",
"value": 2.0
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 15.7
},
{
"type": "CC(1/2)",
"value": 0.794
}
]
},
{
"resolution_limits": [3.23,3.06],
"number_observations_unique": 864,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.500
},
{
"type": "R(meas)",
"value": 1.565
},
{
"type": "R(pim)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 19.5
},
{
"type": "CC(1/2)",
"value": 0.837
}
]
}
]
}