Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8b5c7b62db1d7e9c2c6e5c296c6cfd6c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 114.741,
"b": 53.894,
"c": 44.731,
"alpha": 90.00,
"beta": 101.16,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [34.020,1.800],
"number_observations": 84326,
"number_observations_unique": 24173,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.097
},
{
"type": "R(meas)",
"value": 0.115
},
{
"type": "R(pim)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 4809,
"number_observations_unique": 1389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.718
},
{
"type": "R(meas)",
"value": 0.850
},
{
"type": "R(pim)",
"value": 0.450
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.569
}
]
},
{
"resolution_limits": [34.020,9.000],
"number_observations": 621,
"number_observations_unique": 201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.067
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 15.600
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}