Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9d3c76b1215e2e62b797ef2b11b699df",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.544,
"b": 52.903,
"c": 44.618,
"alpha": 90.00,
"beta": 103.16,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.100,2.140],
"number_observations": 46185,
"number_observations_unique": 14054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.277
},
{
"type": "R(meas)",
"value": 0.332
},
{
"type": "R(pim)",
"value": 0.180
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.924
}
]
},
"refln_shells": [
{
"resolution_limits": [2.210,2.140],
"number_observations": 3338,
"number_observations_unique": 1140,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.324
},
{
"type": "R(meas)",
"value": 1.656
},
{
"type": "R(pim)",
"value": 0.976
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.181
}
]
},
{
"resolution_limits": [55.100,9.090],
"number_observations": 737,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(meas)",
"value": 0.071
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 9.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}