Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "27d58ffc110936931ef513ee303c09bb",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 58.380,
"b": 89.434,
"c": 209.137,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97935],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.510,3.880],
"number_observations": 138267,
"number_observations_unique": 10653,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.246
},
{
"type": "R(meas)",
"value": 0.256
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 13.000
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [4.340,3.880],
"number_observations": 38856,
"number_observations_unique": 2891,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.149
},
{
"type": "R(meas)",
"value": 2.234
},
{
"type": "R(pim)",
"value": 0.603
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 13.400
},
{
"type": "CC(1/2)",
"value": 0.649
}
]
},
{
"resolution_limits": [29.510,8.670],
"number_observations": 12417,
"number_observations_unique": 1040,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 27.500
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 11.900
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}