Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8c605ffb7dc5f3c3654b609728ab3e6c",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 42.198,
"b": 41.147,
"c": 71.654,
"alpha": 90.0,
"beta": 104.5,
"gamma": 90.0
},
"wavelengths": [0.97750],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [31.8840,1.490],
"number_observations_unique": 38850,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.087
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 12.900
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.520,1.490],
"number_observations": 9049,
"number_observations_unique": 1904,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.679
},
{
"type": "R(meas)",
"value": 0.760
},
{
"type": "R(pim)",
"value": 0.336
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 4.800
},
{
"type": "CC(1/2)",
"value": 0.786
}
]
},
{
"resolution_limits": [31.880,8.160],
"number_observations": 1140,
"number_observations_unique": 258,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 33.800
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}