Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c3b1f2794eb1007f166473f2d7aced8e",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 61.556,
"b": 70.904,
"c": 71.940,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.48000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.771,2.010],
"number_observations_unique": 21402,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.238
},
{
"type": "R(meas)",
"value": 0.249
},
{
"type": "R(pim)",
"value": 0.070
},
{
"type": "I/SigI",
"value": 11.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 12.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
"refln_shells": [
{
"resolution_limits": [2.060,2.010],
"number_observations": 17499,
"number_observations_unique": 1518,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.596
},
{
"type": "R(meas)",
"value": 1.672
},
{
"type": "R(pim)",
"value": 0.486
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 11.500
},
{
"type": "CC(1/2)",
"value": 0.734
}
]
},
{
"resolution_limits": [46.770,9.000],
"number_observations": 2952,
"number_observations_unique": 294,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.021
},
{
"type": "I/SigI",
"value": 28.400
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 10.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}