Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "14f5c3a0b02f6992b5d2a1bcc9e81bd2",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.248,
"b": 106.212,
"c": 152.903,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.95370],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.010,2.230],
"number_observations": 627582,
"number_observations_unique": 44722,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.112
},
{
"type": "R(meas)",
"value": 0.117
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 13.500
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 14.000
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [2.300,2.230],
"number_observations": 45617,
"number_observations_unique": 3992,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.874
},
{
"type": "R(meas)",
"value": 0.923
},
{
"type": "R(pim)",
"value": 0.290
},
{
"type": "I/SigI",
"value": 3.600
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 11.400
},
{
"type": "CC(1/2)",
"value": 0.906
}
]
},
{
"resolution_limits": [49.010,8.920],
"number_observations": 10092,
"number_observations_unique": 808,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.053
},
{
"type": "R(meas)",
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},
{
"type": "R(pim)",
"value": 0.015
},
{
"type": "I/SigI",
"value": 31.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 12.500
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}