Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "081dee4de6eb94bdd83627267e5ce49e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 56.944,
"b": 73.691,
"c": 113.756,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.07227],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [61.85,2.000],
"number_observations_unique": 33001,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "R(meas)",
"value": 0.116
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 13.900
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 10.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 22302,
"number_observations_unique": 2318,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.052
},
{
"type": "R(meas)",
"value": 1.111
},
{
"type": "R(pim)",
"value": 0.351
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.813
}
]
},
{
"resolution_limits": [45.060,8.920],
"number_observations": 4054,
"number_observations_unique": 449,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 36.400
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 9.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}