Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8bc85ba0b8577b15802923cb4f1b8fd1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.537,
"b": 45.307,
"c": 83.112,
"alpha": 90.00,
"beta": 102.44,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.350,1.640],
"number_observations": 194128,
"number_observations_unique": 56357,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "R(meas)",
"value": 0.111
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [1.680,1.640],
"number_observations": 14226,
"number_observations_unique": 4053,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.724
},
{
"type": "R(meas)",
"value": 0.854
},
{
"type": "R(pim)",
"value": 0.447
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 95.300
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.647
}
]
},
{
"resolution_limits": [28.350,7.320],
"number_observations": 2345,
"number_observations_unique": 683,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "R(meas)",
"value": 0.082
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
}
]
}