Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2c19baabeed817e542a4586d1a0de2dc",
"space_group_name": "P 61 2 2",
"unit_cell": {
"a": 86.957,
"b": 86.957,
"c": 454.712,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.95400],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.190,2.890],
"number_observations_unique": 23922,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(meas)",
"value": 0.235
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [3.070,2.890],
"number_observations": 26252,
"number_observations_unique": 3641,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.137
},
{
"type": "R(meas)",
"value": 1.213
},
{
"type": "R(pim)",
"value": 0.380
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 7.200
},
{
"type": "CC(1/2)",
"value": 0.524
}
]
},
{
"resolution_limits": [49.190,8.680],
"number_observations": 15977,
"number_observations_unique": 1082,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 26.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 14.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}