Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "cc03a98f7205e6995eac0997f2fc6c83",
"space_group_name": "P 2 21 21",
"unit_cell": {
"a": 58.954,
"b": 71.037,
"c": 98.773,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [41.230,2.360],
"number_observations": 57927,
"number_observations_unique": 17464,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.107
},
{
"type": "R(meas)",
"value": 0.128
},
{
"type": "R(pim)",
"value": 0.069
},
{
"type": "I/SigI",
"value": 5.800
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.300
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.450,2.360],
"number_observations": 6205,
"number_observations_unique": 1813,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.328
},
{
"type": "R(meas)",
"value": 1.581
},
{
"type": "R(pim)",
"value": 0.846
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.389
}
]
},
{
"resolution_limits": [41.230,8.830],
"number_observations": 1173,
"number_observations_unique": 378,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.024
},
{
"type": "R(meas)",
"value": 0.029
},
{
"type": "R(pim)",
"value": 0.016
},
{
"type": "I/SigI",
"value": 25.300
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}