Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "b3a104c3e691bda3511009a72bce3eed",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.989,
"b": 56.547,
"c": 101.717,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.080,2.290],
"number_observations": 95863,
"number_observations_unique": 14539,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.135
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [2.340,2.290],
"number_observations": 4501,
"number_observations_unique": 811,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.580
},
{
"type": "R(meas)",
"value": 0.642
},
{
"type": "R(pim)",
"value": 0.266
},
{
"type": "I/SigI",
"value": 4.700
},
{
"type": "Completeness",
"value": 74.100
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.736
}
]
},
{
"resolution_limits": [29.080,10.220],
"number_observations": 1187,
"number_observations_unique": 203,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 39.400
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}