Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "023febb2ad09d689e09fd8f7acf674e0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 59.961,
"b": 154.250,
"c": 109.205,
"alpha": 90.00,
"beta": 90.46,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [39.2099,1.850],
"number_observations_unique": 166183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.145
},
{
"type": "R(meas)",
"value": 0.163
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.880,1.850],
"number_observations": 34146,
"number_observations_unique": 7756,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.900
},
{
"type": "R(meas)",
"value": 3.280
},
{
"type": "R(pim)",
"value": 1.508
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 91.900
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.369
}
]
},
{
"resolution_limits": [39.200,10.120],
"number_observations": 5186,
"number_observations_unique": 1052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 12.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 4.900
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}