Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "120bb9c2c73dba1879cb0671e1ab39db",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 83.40,
"b": 132.00,
"c": 124.55,
"alpha": 90.00,
"beta": 97.06,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [63.910,2.540],
"number_observations": 463192,
"number_observations_unique": 87548,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.235
},
{
"type": "R(meas)",
"value": 0.260
},
{
"type": "R(pim)",
"value": 0.110
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [2.610,2.540],
"number_observations": 36392,
"number_observations_unique": 6486,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.353
},
{
"type": "R(meas)",
"value": 2.598
},
{
"type": "R(pim)",
"value": 1.082
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.317
}
]
},
{
"resolution_limits": [63.910,11.360],
"number_observations": 5190,
"number_observations_unique": 993,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.062
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 26.100
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}