Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3035dc17dea3b18c33685812b18db7d0",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 57.80,
"b": 93.70,
"c": 93.25,
"alpha": 90.00,
"beta": 107.84,
"gamma": 90.00
},
"wavelengths": [0.92819],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [64.440,1.620],
"number_observations": 409102,
"number_observations_unique": 117953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "R(meas)",
"value": 0.112
},
{
"type": "R(pim)",
"value": 0.059
},
{
"type": "I/SigI",
"value": 7.100
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.991
}
]
},
"refln_shells": [
{
"resolution_limits": [1.660,1.620],
"number_observations": 30082,
"number_observations_unique": 8623,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.185
},
{
"type": "R(meas)",
"value": 1.401
},
{
"type": "R(pim)",
"value": 0.739
},
{
"type": "I/SigI",
"value": 1.000
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.503
}
]
},
{
"resolution_limits": [64.440,7.240],
"number_observations": 5052,
"number_observations_unique": 1387,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "R(meas)",
"value": 0.090
},
{
"type": "R(pim)",
"value": 0.047
},
{
"type": "I/SigI",
"value": 18.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
}
]
}