Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "91b740dbab8bbe7743ade7a00f0a9f87",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.697,
"b": 56.482,
"c": 102.092,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.1490,2.270],
"number_observations": 100666,
"number_observations_unique": 15299,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.175
},
{
"type": "R(meas)",
"value": 0.190
},
{
"type": "R(pim)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.330,2.270],
"number_observations": 5511,
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.964
},
{
"type": "R(meas)",
"value": 1.070
},
{
"type": "R(pim)",
"value": 0.452
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 94.100
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.651
}
]
},
{
"resolution_limits": [29.150,10.150],
"number_observations": 1206,
"number_observations_unique": 209,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 45.500
},
{
"type": "Completeness",
"value": 95.700
},
{
"type": "Redundancy",
"value": 5.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}