Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "6e5d1f20130ca4666838895847c88486",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 91.569,
"b": 187.409,
"c": 241.279,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.340,2.020],
"number_observations": 1275602,
"number_observations_unique": 270573,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "R(meas)",
"value": 0.122
},
{
"type": "R(pim)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 8.800
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.020],
"number_observations": 59152,
"number_observations_unique": 13277,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.803
},
{
"type": "R(meas)",
"value": 0.906
},
{
"type": "R(pim)",
"value": 0.410
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
},
{
"type": "CC(1/2)",
"value": 0.689
}
]
},
{
"resolution_limits": [49.340,11.060],
"number_observations": 7825,
"number_observations_unique": 1771,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "R(meas)",
"value": 0.063
},
{
"type": "R(pim)",
"value": 0.029
},
{
"type": "I/SigI",
"value": 16.600
},
{
"type": "Completeness",
"value": 95.900
},
{
"type": "Redundancy",
"value": 4.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
}
]
}