Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e5ee65a72ca1ddaac62cb0d84ad712f0",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 9.32,
"b": 12.55,
"c": 21.29,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [10.810,1.600],
"number_observations": 3379,
"number_observations_unique": 389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "R(meas)",
"value": 0.237
},
{
"type": "I/SigI",
"value": 6.070
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 8.686
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [1.850,1.600],
"number_observations_unique": 130,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.550
},
{
"type": "R(meas)",
"value": 0.582
},
{
"type": "I/SigI",
"value": 2.770
},
{
"type": "Completeness",
"value": 97.700
},
{
"type": "Redundancy",
"value": 9.231
},
{
"type": "CC(1/2)",
"value": 0.890
}
]
},
{
"resolution_limits": [2.270,1.850],
"number_observations_unique": 112,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.251
},
{
"type": "R(meas)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 6.670
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 8.884
},
{
"type": "CC(1/2)",
"value": 0.975
}
]
},
{
"resolution_limits": [3.210,2.270],
"number_observations_unique": 93,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "R(meas)",
"value": 0.240
},
{
"type": "I/SigI",
"value": 8.240
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 8.409
},
{
"type": "CC(1/2)",
"value": 0.981
}
]
},
{
"resolution_limits": [10.810,3.210],
"number_observations_unique": 54,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.148
},
{
"type": "R(meas)",
"value": 0.159
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 7.444
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
}
]
}