Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "986f48ecd631a99152261e107fe7d290",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 27.660,
"b": 63.160,
"c": 47.301,
"alpha": 90.00,
"beta": 91.68,
"gamma": 90.00
},
"wavelengths": [0.97950],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [37.850,2.100],
"number_observations": 64760,
"number_observations_unique": 9443,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.249
},
{
"type": "R(meas)",
"value": 0.270
},
{
"type": "R(pim)",
"value": 0.103
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.900
},
{
"type": "CC(1/2)",
"value": 0.984
}
]
},
"refln_shells": [
{
"resolution_limits": [2.160,2.100],
"number_observations": 5382,
"number_observations_unique": 768,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.100
},
{
"type": "R(meas)",
"value": 1.187
},
{
"type": "R(pim)",
"value": 0.444
},
{
"type": "I/SigI",
"value": 1.700
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.806
}
]
},
{
"resolution_limits": [37.850,8.910],
"number_observations": 809,
"number_observations_unique": 131,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.103
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 9.300
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.200
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
}
]
}