Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e8d865b3f311fff363c5bdaa2fd333a5",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 65.818,
"b": 89.196,
"c": 100.037,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [52.960,1.510],
"number_observations": 422710,
"number_observations_unique": 45292,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "R(meas)",
"value": 0.054
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 21.900
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 9.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.590,1.510],
"number_observations": 33881,
"number_observations_unique": 5779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.458
},
{
"type": "R(meas)",
"value": 0.503
},
{
"type": "R(pim)",
"value": 0.198
},
{
"type": "I/SigI",
"value": 2.800
},
{
"type": "Completeness",
"value": 87.200
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.873
}
]
},
{
"resolution_limits": [52.960,4.780],
"number_observations": 15131,
"number_observations_unique": 1579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 52.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}