Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "37ced8573086edb258f68ddefd6b9ccb",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 90.007,
"b": 118.433,
"c": 93.809,
"alpha": 90.0,
"beta": 91.2,
"gamma": 90.0
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.15,2.300],
"number_observations": 161495,
"number_observations_unique": 43573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.101
},
{
"type": "R(pim)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 12.600
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.380,2.300],
"number_observations": 14058,
"number_observations_unique": 4228,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.822
},
{
"type": "R(pim)",
"value": 0.533
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.685
}
]
},
{
"resolution_limits": [36.760,8.910],
"number_observations": 2694,
"number_observations_unique": 754,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.019
},
{
"type": "R(pim)",
"value": 0.012
},
{
"type": "I/SigI",
"value": 51.700
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}