Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5aca40229bcfbe167be81482e8266cc9",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 81.410,
"b": 27.004,
"c": 55.785,
"alpha": 90.00,
"beta": 100.39,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.870,1.200],
"number_observations": 89503,
"number_observations_unique": 34999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.220,1.200],
"number_observations": 1122,
"number_observations_unique": 982,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.638
},
{
"type": "R(meas)",
"value": 0.896
},
{
"type": "R(pim)",
"value": 0.628
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 52.300
},
{
"type": "Redundancy",
"value": 1.100
},
{
"type": "CC(1/2)",
"value": 0.503
}
]
},
{
"resolution_limits": [54.870,6.570],
"number_observations": 775,
"number_observations_unique": 262,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.042
},
{
"type": "R(meas)",
"value": 0.051
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 24.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}