Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "5f3f913220666b3fe1f54ae293028461",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.541,
"b": 45.275,
"c": 83.151,
"alpha": 90.00,
"beta": 102.38,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [28.360,1.540],
"number_observations": 233540,
"number_observations_unique": 67835,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.066
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.540],
"number_observations": 15446,
"number_observations_unique": 4825,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.766
},
{
"type": "R(meas)",
"value": 0.925
},
{
"type": "R(pim)",
"value": 0.508
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 94.500
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.572
}
]
},
{
"resolution_limits": [28.360,6.880],
"number_observations": 2832,
"number_observations_unique": 818,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.030
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 48.100
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}