Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5db23709e340414384220fc14c5932d7",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 70.090,
"b": 33.900,
"c": 89.265,
"alpha": 90.00,
"beta": 103.52,
"gamma": 90.00
},
"wavelengths": [1.54178],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [22.020,2.000],
"number_observations_unique": 13035,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "R(meas)",
"value": 0.130
},
{
"type": "R(pim)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 7.200
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.989
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 2336,
"number_observations_unique": 894,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.364
},
{
"type": "R(meas)",
"value": 0.453
},
{
"type": "R(pim)",
"value": 0.267
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 88.200
},
{
"type": "Redundancy",
"value": 2.600
},
{
"type": "CC(1/2)",
"value": 0.843
}
]
},
{
"resolution_limits": [22.010,8.940],
"number_observations": 411,
"number_observations_unique": 128,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.055
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.034
},
{
"type": "I/SigI",
"value": 16.000
},
{
"type": "Completeness",
"value": 81.300
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}