Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e4953f9a1066f96f4771940b06a57d3c",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 45.940,
"b": 87.044,
"c": 127.596,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.380,1.860],
"number_observations": 283376,
"number_observations_unique": 43681,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 16.100
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.910,1.860],
"number_observations": 16105,
"number_observations_unique": 2927,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.853
},
{
"type": "R(meas)",
"value": 0.941
},
{
"type": "R(pim)",
"value": 0.390
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 5.500
},
{
"type": "CC(1/2)",
"value": 0.650
}
]
},
{
"resolution_limits": [29.380,8.310],
"number_observations": 3547,
"number_observations_unique": 573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.011
},
{
"type": "I/SigI",
"value": 50.200
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}