Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "74ed817e144a21b6b80efaa71c5420c4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 111.702,
"b": 52.216,
"c": 45.536,
"alpha": 90.00,
"beta": 102.99,
"gamma": 90.00
},
"wavelengths": [0.91300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.420,1.980],
"number_observations": 56841,
"number_observations_unique": 17928,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.268
},
{
"type": "R(pim)",
"value": 0.148
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.976
}
]
},
"refln_shells": [
{
"resolution_limits": [2.080,1.980],
"number_observations": 7978,
"number_observations_unique": 2593,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.481
},
{
"type": "R(meas)",
"value": 1.792
},
{
"type": "R(pim)",
"value": 0.997
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.362
}
]
},
{
"resolution_limits": [54.420,6.250],
"number_observations": 1764,
"number_observations_unique": 596,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.099
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}