Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "0a9825fbd43e74efc39e2d0150efe772",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.61,
"b": 38.31,
"c": 60.94,
"alpha": 90.00,
"beta": 107.05,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.260,1.800],
"number_observations": 72790,
"number_observations_unique": 24177,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.102
},
{
"type": "R(pim)",
"value": 0.057
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.800],
"number_observations": 4089,
"number_observations_unique": 1442,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.449
},
{
"type": "R(meas)",
"value": 0.552
},
{
"type": "R(pim)",
"value": 0.317
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.405
}
]
},
{
"resolution_limits": [58.260,9.000],
"number_observations": 702,
"number_observations_unique": 222,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "R(meas)",
"value": 0.041
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 21.300
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}