Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ff303300f31a1fc58e97fb2bfbed1044",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.225,
"b": 110.400,
"c": 77.634,
"alpha": 90.00,
"beta": 94.39,
"gamma": 90.00
},
"wavelengths": [0.97600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [44.943,2.699],
"number_observations_unique": 23961,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 10.3
},
{
"type": "Completeness",
"value": 91.4
},
{
"type": "Redundancy",
"value": 3.3
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [2.83,2.699],
"number_observations_unique": 3051,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.430
},
{
"type": "R(meas)",
"value": 0.573
},
{
"type": "R(pim)",
"value": 0.376
},
{
"type": "I/SigI",
"value": 2.4
},
{
"type": "Completeness",
"value": 87.2
},
{
"type": "Redundancy",
"value": 3.2
},
{
"type": "CC(1/2)",
"value": 0.868
}
]
},
{
"resolution_limits": [44.94,8.95],
"number_observations_unique": 598,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 25.3
},
{
"type": "Completeness",
"value": 83.7
},
{
"type": "Redundancy",
"value": 3.6
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}