Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f2d6ef2014f3367cf7aeee66eec45daa",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.118,
"b": 52.802,
"c": 44.506,
"alpha": 90.00,
"beta": 103.13,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.190,1.790],
"number_observations": 85743,
"number_observations_unique": 24146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "R(meas)",
"value": 0.148
},
{
"type": "R(pim)",
"value": 0.077
},
{
"type": "I/SigI",
"value": 6.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.790],
"number_observations": 4399,
"number_observations_unique": 1370,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.377
},
{
"type": "R(meas)",
"value": 1.651
},
{
"type": "R(pim)",
"value": 0.893
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.356
}
]
},
{
"resolution_limits": [55.190,8.950],
"number_observations": 803,
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 21.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}