Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a361ed27c65adce2096738337930fe82",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 30.735,
"b": 81.362,
"c": 31.989,
"alpha": 90.00,
"beta": 117.95,
"gamma": 90.00
},
"wavelengths": [0.91199],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.680,1.270],
"number_observations": 120852,
"number_observations_unique": 34946,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 5.300
},
{
"type": "Completeness",
"value": 96.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.340,1.270],
"number_observations": 14764,
"number_observations_unique": 5002,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.496
},
{
"type": "R(meas)",
"value": 1.801
},
{
"type": "R(pim)",
"value": 0.987
},
{
"type": "I/SigI",
"value": 0.800
},
{
"type": "Completeness",
"value": 94.200
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.443
}
]
},
{
"resolution_limits": [40.680,4.030],
"number_observations": 4055,
"number_observations_unique": 1153,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.068
},
{
"type": "R(meas)",
"value": 0.080
},
{
"type": "R(pim)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
}
]
}