Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9d47bbb96dca71fda894c7c55b602e7a",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 105.42,
"b": 158.33,
"c": 180.98,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.580,2.350],
"number_observations": 949375,
"number_observations_unique": 126288,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.105
},
{
"type": "R(meas)",
"value": 0.113
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.410,2.350],
"number_observations": 72091,
"number_observations_unique": 9214,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.202
},
{
"type": "R(meas)",
"value": 1.286
},
{
"type": "R(pim)",
"value": 0.454
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.677
}
]
},
{
"resolution_limits": [41.580,10.510],
"number_observations": 10089,
"number_observations_unique": 1532,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 28.100
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}