Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0c4e4913c644dbb8326b3d7160db9fad",
"space_group_name": "P 4 21 2",
"unit_cell": {
"a": 109.738,
"b": 109.738,
"c": 152.030,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [109.740,3.170],
"number_observations": 142882,
"number_observations_unique": 16322,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.203
},
{
"type": "R(meas)",
"value": 0.217
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 8.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [3.390,3.170],
"number_observations": 26428,
"number_observations_unique": 2909,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.631
},
{
"type": "R(meas)",
"value": 1.737
},
{
"type": "R(pim)",
"value": 0.581
},
{
"type": "I/SigI",
"value": 1.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.439
}
]
},
{
"resolution_limits": [109.740,8.970],
"number_observations": 6203,
"number_observations_unique": 817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.039
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 42.400
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}