Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "40afb852b299605faed042a932c5e56a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 105.944,
"b": 216.821,
"c": 121.255,
"alpha": 90.00,
"beta": 94.01,
"gamma": 90.00
},
"wavelengths": [0.97740],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.500,1.980],
"number_observations": 1157133,
"number_observations_unique": 188635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.147
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.010,1.980],
"number_observations": 53894,
"number_observations_unique": 9317,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.026
},
{
"type": "R(meas)",
"value": 2.229
},
{
"type": "R(pim)",
"value": 0.919
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.306
}
]
},
{
"resolution_limits": [47.500,10.840],
"number_observations": 6859,
"number_observations_unique": 1168,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.023
},
{
"type": "R(meas)",
"value": 0.025
},
{
"type": "R(pim)",
"value": 0.010
},
{
"type": "I/SigI",
"value": 57.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 1.000
}
]
}
]
}