Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8faaff4629c958f4a373657efc55e0bc",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.455,
"b": 71.455,
"c": 196.906,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92124],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [35.730,1.510],
"number_observations": 2040680,
"number_observations_unique": 81060,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.278
},
{
"type": "R(meas)",
"value": 0.284
},
{
"type": "R(pim)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 9.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 25.200
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.540,1.510],
"number_observations": 74168,
"number_observations_unique": 3907,
"quality_factors": [
{
"type": "R(merge)",
"value": 5.619
},
{
"type": "R(meas)",
"value": 5.775
},
{
"type": "R(pim)",
"value": 1.315
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 19.000
},
{
"type": "CC(1/2)",
"value": 0.298
}
]
},
{
"resolution_limits": [35.730,8.270],
"number_observations": 12371,
"number_observations_unique": 620,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.060
},
{
"type": "R(meas)",
"value": 0.061
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 52.300
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 20.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}