Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0182caabc46fdb5b916b698ed1b1189c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.429,
"b": 56.406,
"c": 101.895,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.100,1.520],
"number_observations": 322844,
"number_observations_unique": 46305,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 92.600
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.560,1.520],
"number_observations": 22735,
"number_observations_unique": 3315,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.838
},
{
"type": "R(meas)",
"value": 0.906
},
{
"type": "R(pim)",
"value": 0.340
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 91.500
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.862
}
]
},
{
"resolution_limits": [29.100,6.790],
"number_observations": 3962,
"number_observations_unique": 641,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 35.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}