Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "8352af47162347437c03913ae0a40bd7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.506,
"b": 84.983,
"c": 59.179,
"alpha": 90.0,
"beta": 108.0,
"gamma": 90.0
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [85.000,1.720],
"number_observations": 357287,
"number_observations_unique": 55497,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "R(meas)",
"value": 0.149
},
{
"type": "R(pim)",
"value": 0.058
},
{
"type": "I/SigI",
"value": 17.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.993
}
]
},
"refln_shells": [
{
"resolution_limits": [1.750,1.720],
"number_observations": 13537,
"number_observations_unique": 2930,
"quality_factors": [
{
"type": "R(merge)",
"value": 4.010
},
{
"type": "R(meas)",
"value": 4.494
},
{
"type": "R(pim)",
"value": 1.995
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.295
}
]
},
{
"resolution_limits": [85.000,9.100],
"number_observations": 2401,
"number_observations_unique": 401,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.073
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 71.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}