Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2762c9cc91cfbb131114cdaadfd295f9",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 57.809,
"b": 45.948,
"c": 108.535,
"alpha": 90.00,
"beta": 103.96,
"gamma": 90.00
},
"wavelengths": [0.99999],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.150,1.950],
"number_observations_unique": 19398,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 15.200
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [2.000,1.950],
"number_observations": 7813,
"number_observations_unique": 1159,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.618
},
{
"type": "R(meas)",
"value": 0.669
},
{
"type": "R(pim)",
"value": 0.253
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 79.200
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [42.120,8.940],
"number_observations": 1487,
"number_observations_unique": 229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 47.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}