Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "367f3f76048018ab65f5a14fbef99698",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.808,
"b": 79.249,
"c": 90.443,
"alpha": 90.00,
"beta": 130.62,
"gamma": 90.00
},
"wavelengths": [1.00004],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.66,2.400],
"number_observations_unique": 24408,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.071
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 84.700
},
{
"type": "Redundancy",
"value": 2.100
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [2.490,2.400],
"number_observations": 5104,
"number_observations_unique": 2559,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "R(meas)",
"value": 0.328
},
{
"type": "R(pim)",
"value": 0.211
},
{
"type": "I/SigI",
"value": 1.500
},
{
"type": "Completeness",
"value": 84.600
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.908
}
]
},
{
"resolution_limits": [39.620,8.980],
"number_observations": 1021,
"number_observations_unique": 455,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 79.700
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}