Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "ddefac7a072f6253173f37502ef3e2dd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 41.867,
"b": 103.013,
"c": 94.105,
"alpha": 90.00,
"beta": 92.59,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.000,2.540],
"number_observations": 65996,
"number_observations_unique": 13027,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "R(meas)",
"value": 0.064
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.660,2.540],
"number_observations": 7718,
"number_observations_unique": 1531,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.783
},
{
"type": "R(meas)",
"value": 1.990
},
{
"type": "R(pim)",
"value": 0.868
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 5.000
},
{
"type": "CC(1/2)",
"value": 0.738
}
]
},
{
"resolution_limits": [47.000,8.810],
"number_observations": 1585,
"number_observations_unique": 334,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "R(meas)",
"value": 0.040
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 36.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}