Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3b8305ed1d68f8670e6249d895aef707",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.266,
"b": 67.626,
"c": 82.366,
"alpha": 90.000,
"beta": 91.042,
"gamma": 90.000
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [82.350,1.880],
"number_observations": 150704,
"number_observations_unique": 44587,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.153
},
{
"type": "R(meas)",
"value": 0.183
},
{
"type": "R(pim)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.968
}
]
},
"refln_shells": [
{
"resolution_limits": [1.980,1.880],
"number_observations": 22830,
"number_observations_unique": 6555,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.439
},
{
"type": "R(meas)",
"value": 0.519
},
{
"type": "R(pim)",
"value": 0.275
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.856
}
]
},
{
"resolution_limits": [82.350,5.930],
"number_observations": 5271,
"number_observations_unique": 1483,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
}
]
}