Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f8ea9f330bb8deb8d2bd13e9b8648e2f",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 50.979,
"b": 63.610,
"c": 72.140,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97915],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.71,1.700],
"number_observations_unique": 26476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.119
},
{
"type": "R(meas)",
"value": 0.125
},
{
"type": "R(pim)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 8.200
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.730,1.700],
"number_observations": 12963,
"number_observations_unique": 1367,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.733
},
{
"type": "R(meas)",
"value": 0.774
},
{
"type": "R(pim)",
"value": 0.246
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
},
{
"resolution_limits": [41.630,9.000],
"number_observations": 2125,
"number_observations_unique": 223,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.070
},
{
"type": "R(pim)",
"value": 0.023
},
{
"type": "I/SigI",
"value": 15.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 9.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}