Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7cced8d708f37d6fae2b119eeb24806f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 59.23,
"b": 64.69,
"c": 169.98,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03321],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [23.321,2.800],
"number_observations": 82110,
"number_observations_unique": 15550,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.241
},
{
"type": "R(meas)",
"value": 0.264
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 6.900
},
{
"type": "Completeness",
"value": 93.100
},
{
"type": "Redundancy",
"value": 5.300
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.950,2.800],
"number_observations": 2922,
"number_observations_unique": 1583,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.132
},
{
"type": "R(meas)",
"value": 1.432
},
{
"type": "R(pim)",
"value": 0.861
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 66.600
},
{
"type": "Redundancy",
"value": 1.800
},
{
"type": "CC(1/2)",
"value": 0.346
}
]
},
{
"resolution_limits": [48.600,8.850],
"number_observations": 3127,
"number_observations_unique": 579,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 26.000
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}