Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "190004123b14db61a6094b3b7dd761c4",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 72.704,
"b": 50.586,
"c": 68.953,
"alpha": 90.00,
"beta": 115.54,
"gamma": 90.00
},
"wavelengths": [0.97949],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.060,1.270],
"number_observations": 219497,
"number_observations_unique": 59102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 10.500
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.290,1.270],
"number_observations": 10023,
"number_observations_unique": 2815,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.636
},
{
"type": "R(pim)",
"value": 0.385
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 96.100
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.636
}
]
},
{
"resolution_limits": [40.060,6.960],
"number_observations": 1485,
"number_observations_unique": 388,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "R(pim)",
"value": 0.018
},
{
"type": "I/SigI",
"value": 36.500
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}