Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a219ef2fc17becfab12bed081737e2ae",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.641,
"b": 92.694,
"c": 70.118,
"alpha": 90.00,
"beta": 105.91,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.530,2.440],
"number_observations": 78024,
"number_observations_unique": 25043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "R(meas)",
"value": 0.142
},
{
"type": "R(pim)",
"value": 0.078
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [2.500,2.440],
"number_observations": 3328,
"number_observations_unique": 1531,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.742
},
{
"type": "R(meas)",
"value": 0.957
},
{
"type": "R(pim)",
"value": 0.595
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 81.300
},
{
"type": "Redundancy",
"value": 2.200
},
{
"type": "CC(1/2)",
"value": 0.683
}
]
},
{
"resolution_limits": [54.530,10.910],
"number_observations": 918,
"number_observations_unique": 303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 14.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}