Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9e66fc01a2f1a06d2b5a95b5bc67e590",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.338,
"b": 56.133,
"c": 101.806,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [21.440,1.530],
"number_observations": 277946,
"number_observations_unique": 47833,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "R(meas)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 12.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.600,1.530],
"number_observations": 36348,
"number_observations_unique": 6310,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.819
},
{
"type": "R(meas)",
"value": 0.900
},
{
"type": "R(pim)",
"value": 0.367
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.638
}
]
},
{
"resolution_limits": [21.440,5.070],
"number_observations": 9282,
"number_observations_unique": 1463,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.027
},
{
"type": "R(meas)",
"value": 0.030
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 38.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}