Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5ab7a2d67aa7e68ac27103eb8b3715c8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 48.612,
"b": 81.470,
"c": 224.120,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98011],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [112.060,3.090],
"number_observations": 126178,
"number_observations_unique": 16103,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.240
},
{
"type": "R(meas)",
"value": 0.257
},
{
"type": "R(pim)",
"value": 0.091
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 93.700
},
{
"type": "Redundancy",
"value": 7.800
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [3.250,3.090],
"number_observations": 19629,
"number_observations_unique": 2474,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.117
},
{
"type": "R(meas)",
"value": 1.197
},
{
"type": "R(pim)",
"value": 0.423
},
{
"type": "I/SigI",
"value": 2.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.900
},
{
"type": "CC(1/2)",
"value": 0.696
}
]
},
{
"resolution_limits": [112.060,9.760],
"number_observations": 4440,
"number_observations_unique": 635,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.022
},
{
"type": "I/SigI",
"value": 19.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}