Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5c3c916893c5b823b8f4ddee207800c2",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.186,
"b": 53.181,
"c": 45.917,
"alpha": 90.00,
"beta": 102.24,
"gamma": 90.00
},
"wavelengths": [0.97930],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [27.670,2.320],
"number_observations_unique": 11449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "R(meas)",
"value": 0.126
},
{
"type": "R(pim)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.320],
"number_observations": 3849,
"number_observations_unique": 667,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.081
},
{
"type": "R(meas)",
"value": 1.186
},
{
"type": "R(pim)",
"value": 0.481
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 79.200
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.636
}
]
},
{
"resolution_limits": [27.650,10.390],
"number_observations": 797,
"number_observations_unique": 135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.050
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 33.000
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}