Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "c1e097d0b03c4575997907c8b02757cf",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.891,
"b": 147.955,
"c": 64.581,
"alpha": 90.00,
"beta": 99.67,
"gamma": 90.00
},
"wavelengths": [0.97914],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [73.980,2.110],
"number_observations": 213306,
"number_observations_unique": 61831,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.082
},
{
"type": "R(meas)",
"value": 0.097
},
{
"type": "R(pim)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 8.600
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [2.220,2.110],
"number_observations": 33280,
"number_observations_unique": 9124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.552
},
{
"type": "R(meas)",
"value": 0.646
},
{
"type": "R(pim)",
"value": 0.334
},
{
"type": "I/SigI",
"value": 2.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.766
}
]
},
{
"resolution_limits": [73.980,6.660],
"number_observations": 6766,
"number_observations_unique": 1939,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 94.800
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}