Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "6f2dd0ceb2a61daf2bbea6b295805da4",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.288,
"b": 83.079,
"c": 58.739,
"alpha": 90.00,
"beta": 108.64,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.060,1.400],
"number_observations": 421822,
"number_observations_unique": 80715,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "R(meas)",
"value": 0.065
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 16.300
},
{
"type": "Completeness",
"value": 81.500
},
{
"type": "Redundancy",
"value": 5.200
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.420,1.400],
"number_observations": 1472,
"number_observations_unique": 1152,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.049
},
{
"type": "R(meas)",
"value": 1.461
},
{
"type": "R(pim)",
"value": 1.013
},
{
"type": "I/SigI",
"value": 0.300
},
{
"type": "Completeness",
"value": 23.600
},
{
"type": "Redundancy",
"value": 1.300
},
{
"type": "CC(1/2)",
"value": 0.348
}
]
},
{
"resolution_limits": [83.060,7.670],
"number_observations": 4145,
"number_observations_unique": 644,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "R(meas)",
"value": 0.048
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 74.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.400
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}