Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "eabb82f852d508ab5d1904dcee47be0f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.329,
"b": 108.140,
"c": 55.670,
"alpha": 90.00,
"beta": 91.82,
"gamma": 90.00
},
"wavelengths": [0.97625],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.300,1.750],
"number_observations_unique": 61250,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.083
},
{
"type": "R(pim)",
"value": 0.050
},
{
"type": "I/SigI",
"value": 7.300
},
{
"type": "Completeness",
"value": 93.200
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations_unique": 3299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.359
},
{
"type": "R(meas)",
"value": 0.459
},
{
"type": "R(pim)",
"value": 0.281
},
{
"type": "Completeness",
"value": 91.200
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.774
}
]
},
{
"resolution_limits": [55.300,9.090],
"number_observations_unique": 468,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.038
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 2.400
},
{
"type": "CC(1/2)",
"value": 0.959
}
]
}
]
}