Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "2d8406f194af34c79bac8b7ce69098f6",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.045,
"b": 102.262,
"c": 146.289,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.11583],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.760,2.150],
"number_observations": 232451,
"number_observations_unique": 36719,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.131
},
{
"type": "R(meas)",
"value": 0.143
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 9.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.150],
"number_observations": 20359,
"number_observations_unique": 3151,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.784
},
{
"type": "R(meas)",
"value": 1.941
},
{
"type": "R(pim)",
"value": 0.756
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.311
}
]
},
{
"resolution_limits": [48.760,8.880],
"number_observations": 3348,
"number_observations_unique": 615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "R(meas)",
"value": 0.047
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 31.100
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}