Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c539543bf3c71cf48030c8b262f12e41",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 47.758,
"b": 64.114,
"c": 49.013,
"alpha": 90.00,
"beta": 111.48,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.610,1.220],
"number_observations": 302987,
"number_observations_unique": 62449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.049
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 23.100
},
{
"type": "Completeness",
"value": 76.400
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.290,1.220],
"number_observations": 6195,
"number_observations_unique": 2341,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.342
},
{
"type": "R(meas)",
"value": 0.424
},
{
"type": "R(pim)",
"value": 0.247
},
{
"type": "I/SigI",
"value": 3.300
},
{
"type": "Completeness",
"value": 17.800
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.808
}
]
},
{
"resolution_limits": [45.610,3.660],
"number_observations": 15192,
"number_observations_unique": 2995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.037
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 42.600
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}