Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7ac9d50e77f014779b7fe0c9cfea9850",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 87.27,
"b": 89.31,
"c": 98.68,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.220,2.390],
"number_observations": 204925,
"number_observations_unique": 31223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.152
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.450,2.390],
"number_observations": 14638,
"number_observations_unique": 2264,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.105
},
{
"type": "R(meas)",
"value": 2.288
},
{
"type": "R(pim)",
"value": 0.889
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.522
}
]
},
{
"resolution_limits": [66.220,10.690],
"number_observations": 2210,
"number_observations_unique": 412,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 49.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}