Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d5fdab1cf9b5c24040b639b3e21a3762",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 137.258,
"b": 65.588,
"c": 84.124,
"alpha": 90.00,
"beta": 93.23,
"gamma": 90.00
},
"wavelengths": [0.91587],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [68.560,2.110],
"number_observations": 141739,
"number_observations_unique": 43099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.155
},
{
"type": "R(meas)",
"value": 0.185
},
{
"type": "R(pim)",
"value": 0.101
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.110],
"number_observations": 10727,
"number_observations_unique": 3158,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.978
},
{
"type": "R(meas)",
"value": 1.164
},
{
"type": "R(pim)",
"value": 0.624
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.520
}
]
},
{
"resolution_limits": [68.560,9.440],
"number_observations": 1723,
"number_observations_unique": 519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.052
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 13.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}