Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "86508b4430d5e4f2db6356504bd5f053",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 220.063,
"b": 172.618,
"c": 138.564,
"alpha": 90.00,
"beta": 128.41,
"gamma": 90.00
},
"wavelengths": [0.91840],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [45.610,2.69],
"number_observations_unique": 110673,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.267
},
{
"type": "R(meas)",
"value": 0.310
},
{
"type": "R(pim)",
"value": 0.155
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.967
}
]
},
"refln_shells": [
{
"resolution_limits": [2.740,2.690],
"number_observations_unique": 4952,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.303
},
{
"type": "R(meas)",
"value": 1.517
},
{
"type": "R(pim)",
"value": 0.767
},
{
"type": "Completeness",
"value": 89.500
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.488
}
]
},
{
"resolution_limits": [45.610,14.750],
"number_observations_unique": 686,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.079
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}