Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8eef34a0fc1a54a49b42475b4e5452f7",
"space_group_name": "P 21 2 21",
"unit_cell": {
"a": 32.78,
"b": 70.89,
"c": 171.41,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [36.670,2.080],
"number_observations": 152138,
"number_observations_unique": 24576,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.140
},
{
"type": "R(meas)",
"value": 0.153
},
{
"type": "R(pim)",
"value": 0.060
},
{
"type": "I/SigI",
"value": 8.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.080],
"number_observations": 10466,
"number_observations_unique": 1769,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.763
},
{
"type": "R(meas)",
"value": 0.833
},
{
"type": "R(pim)",
"value": 0.327
},
{
"type": "I/SigI",
"value": 2.300
},
{
"type": "Completeness",
"value": 94.400
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.727
}
]
},
{
"resolution_limits": [36.670,9.070],
"number_observations": 2163,
"number_observations_unique": 374,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "R(meas)",
"value": 0.059
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 15.300
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}