Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f5ba4d158b81283c073e93f6a78bd3d8",
"space_group_name": "C 2 2 2",
"unit_cell": {
"a": 101.293,
"b": 106.356,
"c": 106.455,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.99990],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [60.400,3.052],
"number_observations": 72615,
"number_observations_unique": 11243,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "R(meas)",
"value": 0.085
},
{
"type": "R(pim)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 15.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [3.062,3.052],
"number_observations": 762,
"number_observations_unique": 116,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.935
},
{
"type": "R(meas)",
"value": 1.015
},
{
"type": "R(pim)",
"value": 0.394
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.851
}
]
},
{
"resolution_limits": [60.400,14.105],
"number_observations": 713,
"number_observations_unique": 140,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 40.400
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}