Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e7187972193b250323f7de4e0dfc8416",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 28.134,
"b": 32.365,
"c": 60.196,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [17.350,1.020],
"number_observations_unique": 52930,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.040,1.020],
"number_observations": 3877,
"number_observations_unique": 1190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.450
},
{
"type": "R(meas)",
"value": 0.532
},
{
"type": "R(pim)",
"value": 0.276
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 85.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.797
}
]
},
{
"resolution_limits": [17.350,5.590],
"number_observations": 915,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 45.100
},
{
"type": "Completeness",
"value": 96.300
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}