Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8aeac2cb122d4517f9ca03ff1035a561",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 79.48,
"b": 82.29,
"c": 220.73,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.870,2.100],
"number_observations_unique": 81793,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "R(meas)",
"value": 0.119
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 12.000
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 9.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.140,2.100],
"number_observations": 44633,
"number_observations_unique": 4572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.876
},
{
"type": "R(meas)",
"value": 0.927
},
{
"type": "R(pim)",
"value": 0.291
},
{
"type": "I/SigI",
"value": 2.700
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 9.800
},
{
"type": "CC(1/2)",
"value": 0.743
}
]
},
{
"resolution_limits": [45.830,10.910],
"number_observations": 5704,
"number_observations_unique": 625,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "R(meas)",
"value": 0.043
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 29.000
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 9.100
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}