Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "9783bd347829f9f7656a7abb4be903a2",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.464,
"b": 84.571,
"c": 59.074,
"alpha": 90.00,
"beta": 108.03,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [84.510,1.510],
"number_observations": 423550,
"number_observations_unique": 71453,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 17.200
},
{
"type": "Completeness",
"value": 87.900
},
{
"type": "Redundancy",
"value": 5.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [1.530,1.510],
"number_observations": 5143,
"number_observations_unique": 1651,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.370
},
{
"type": "R(meas)",
"value": 2.859
},
{
"type": "R(pim)",
"value": 1.567
},
{
"type": "I/SigI",
"value": 0.200
},
{
"type": "Completeness",
"value": 41.400
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.318
}
]
},
{
"resolution_limits": [84.510,8.260],
"number_observations": 3297,
"number_observations_unique": 531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(meas)",
"value": 0.036
},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 95.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}