Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a9602f5454cfccd2e9043e9c4f58827",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.577,
"b": 52.959,
"c": 44.586,
"alpha": 90.00,
"beta": 102.99,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.980,1.400],
"number_observations": 149056,
"number_observations_unique": 46782,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.043
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 92.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.430,1.400],
"number_observations": 4045,
"number_observations_unique": 1806,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.028
},
{
"type": "R(meas)",
"value": 1.348
},
{
"type": "R(pim)",
"value": 0.856
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 71.400
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.345
}
]
},
{
"resolution_limits": [54.980,7.550],
"number_observations": 1218,
"number_observations_unique": 345,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 24.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}