Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "49bd4486bb2e5fc14443e9498ebc758c",
"space_group_name": "P 43 21 2",
"unit_cell": {
"a": 71.419,
"b": 71.419,
"c": 150.264,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.390,1.430],
"number_observations": 935766,
"number_observations_unique": 72709,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.088
},
{
"type": "R(pim)",
"value": 0.024
},
{
"type": "I/SigI",
"value": 18.500
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 12.900
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.450,1.430],
"number_observations": 40399,
"number_observations_unique": 3482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.787
},
{
"type": "R(meas)",
"value": 0.822
},
{
"type": "R(pim)",
"value": 0.236
},
{
"type": "I/SigI",
"value": 3.100
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.875
}
]
},
{
"resolution_limits": [29.390,7.830],
"number_observations": 6317,
"number_observations_unique": 544,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "R(meas)",
"value": 0.068
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 40.000
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 11.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}