Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "38fb854a0a22857047a8390690336325",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 61.244,
"b": 235.384,
"c": 70.566,
"alpha": 90.0,
"beta": 104.3,
"gamma": 90.0
},
"wavelengths": [0.97658],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.3800,1.600],
"number_observations_unique": 480738,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.630,1.600],
"number_observations": 42518,
"number_observations_unique": 12150,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.412
},
{
"type": "R(meas)",
"value": 0.486
},
{
"type": "R(pim)",
"value": 0.255
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.832
}
]
},
{
"resolution_limits": [235.380,8.760],
"number_observations": 5705,
"number_observations_unique": 1545,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 26.800
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.982
}
]
}
]
}