Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "e97d9cf548bddec00e2908642d3d1f98",
"space_group_name": "P 32 2 1",
"unit_cell": {
"a": 104.450,
"b": 104.450,
"c": 160.765,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.67,1.7],
"number_observations_unique": 111842,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "I/SigI",
"value": 9.16
},
{
"type": "Completeness",
"value": 100.0
},
{
"type": "Redundancy",
"value": 11.42
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.8,1.70],
"number_observations_unique": 17928,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.823
},
{
"type": "R(meas)",
"value": 2.955
},
{
"type": "I/SigI",
"value": 0.73
},
{
"type": "Completeness",
"value": 99.2
},
{
"type": "CC(1/2)",
"value": 0.293
}
]
},
{
"resolution_limits": [1.93,1.80],
"number_observations_unique": 16807,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.574
},
{
"type": "R(meas)",
"value": 1.647
},
{
"type": "I/SigI",
"value": 23.74
},
{
"type": "Completeness",
"value": 99.4
},
{
"type": "CC(1/2)",
"value": 0.735
}
]
},
{
"resolution_limits": [2.08,1.93],
"number_observations_unique": 15706,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.809
},
{
"type": "R(meas)",
"value": 0.847
},
{
"type": "CC(1/2)",
"value": 0.905
}
]
},
{
"resolution_limits": [2.28,2.08],
"number_observations_unique": 14473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.431
},
{
"type": "R(meas)",
"value": 0.452
},
{
"type": "CC(1/2)",
"value": 0.972
}
]
},
{
"resolution_limits": [2.55,2.28],
"number_observations_unique": 13147,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.248
},
{
"type": "R(meas)",
"value": 0.26
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
{
"resolution_limits": [2.94,2.55],
"number_observations_unique": 11628,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
},
{
"resolution_limits": [3.6,2.94],
"number_observations_unique": 9912,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "R(meas)",
"value": 0.093
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [5.08,3.60],
"number_observations_unique": 7753,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.071
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
{
"resolution_limits": [49.67,5.08],
"number_observations_unique": 4488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.087
},
{
"type": "R(meas)",
"value": 0.091
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}