Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4ca91f56667200fa45fa3b4ca702fcd2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 67.681,
"b": 68.153,
"c": 138.486,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.91788],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [138.490,1.960],
"number_observations": 251714,
"number_observations_unique": 46108,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.127
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.960],
"number_observations": 6787,
"number_observations_unique": 2848,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.243
},
{
"type": "R(meas)",
"value": 1.557
},
{
"type": "R(pim)",
"value": 0.919
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 88.500
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.309
}
]
},
{
"resolution_limits": [138.490,8.980],
"number_observations": 3307,
"number_observations_unique": 584,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 41.800
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.700
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
}
]
}