Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "51ee9f81d685a5812434208ae4ecfccd",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.199,
"b": 53.268,
"c": 44.427,
"alpha": 90.00,
"beta": 102.91,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.200,1.790],
"number_observations": 87676,
"number_observations_unique": 24258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.150
},
{
"type": "R(meas)",
"value": 0.177
},
{
"type": "R(pim)",
"value": 0.093
},
{
"type": "I/SigI",
"value": 4.900
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.830,1.790],
"number_observations": 4585,
"number_observations_unique": 1402,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.647
},
{
"type": "R(meas)",
"value": 1.970
},
{
"type": "R(pim)",
"value": 1.064
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.335
}
]
},
{
"resolution_limits": [55.200,8.950],
"number_observations": 819,
"number_observations_unique": 212,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 21.900
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}