Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8936d81f18b851e55cafb7a1c945bdd1",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 100.87,
"b": 70.55,
"c": 68.33,
"alpha": 90.00,
"beta": 117.82,
"gamma": 90.00
},
"wavelengths": [0.92820],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.460,1.100],
"number_observations": 554971,
"number_observations_unique": 137242,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.027
},
{
"type": "I/SigI",
"value": 11.700
},
{
"type": "Completeness",
"value": 80.200
},
{
"type": "Redundancy",
"value": 4.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.130,1.100],
"number_observations": 6147,
"number_observations_unique": 3030,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.621
},
{
"type": "R(meas)",
"value": 0.785
},
{
"type": "R(pim)",
"value": 0.470
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 24.300
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.552
}
]
},
{
"resolution_limits": [30.460,4.920],
"number_observations": 8824,
"number_observations_unique": 1958,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "R(meas)",
"value": 0.042
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 32.900
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}