Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "2fdee8dacf8d634df37bef66f53b39b4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 110.239,
"b": 92.132,
"c": 178.443,
"alpha": 90.00,
"beta": 91.16,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [47.3120,2.150],
"number_observations_unique": 186019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "R(meas)",
"value": 0.157
},
{
"type": "R(pim)",
"value": 0.081
},
{
"type": "I/SigI",
"value": 5.500
},
{
"type": "Completeness",
"value": 95.800
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.985
}
]
},
"refln_shells": [
{
"resolution_limits": [2.190,2.150],
"number_observations": 25609,
"number_observations_unique": 8684,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.415
},
{
"type": "R(meas)",
"value": 0.499
},
{
"type": "R(pim)",
"value": 0.272
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.750
}
]
},
{
"resolution_limits": [47.310,11.780],
"number_observations": 4778,
"number_observations_unique": 1229,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.060
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 11.800
},
{
"type": "Completeness",
"value": 96.400
},
{
"type": "Redundancy",
"value": 3.900
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}