Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7dbe4c1cc8e32488004126d81817f996",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 80.444,
"b": 49.502,
"c": 114.424,
"alpha": 90.0,
"beta": 95.4,
"gamma": 90.0
},
"wavelengths": [0.91790],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [80.090,1.860],
"number_observations": 263258,
"number_observations_unique": 75903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.106
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
},
"refln_shells": [
{
"resolution_limits": [1.900,1.860],
"number_observations": 14341,
"number_observations_unique": 4455,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.651
},
{
"type": "R(meas)",
"value": 1.985
},
{
"type": "R(pim)",
"value": 1.092
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.316
}
]
},
{
"resolution_limits": [80.090,9.300],
"number_observations": 2060,
"number_observations_unique": 678,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 81.400
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.926
}
]
}
]
}