Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "acab4ff50e46d171d87851ed7d81e6d8",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 84.519,
"b": 45.357,
"c": 59.042,
"alpha": 90.00,
"beta": 102.34,
"gamma": 90.00
},
"wavelengths": [0.75000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.430,1.400],
"number_observations": 252698,
"number_observations_unique": 42242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.150
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 13161,
"number_observations_unique": 2137,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.615
},
{
"type": "R(meas)",
"value": 0.672
},
{
"type": "R(pim)",
"value": 0.268
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [34.430,7.670],
"number_observations": 1493,
"number_observations_unique": 272,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 15.100
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}