Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "52f6d16b8be73727e0b8a063b886fb6f",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.489,
"b": 83.759,
"c": 58.995,
"alpha": 90.00,
"beta": 108.25,
"gamma": 90.00
},
"wavelengths": [0.92204],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [46.560,1.610],
"number_observations": 391728,
"number_observations_unique": 65501,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "R(meas)",
"value": 0.092
},
{
"type": "R(pim)",
"value": 0.036
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 6.000
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
},
"refln_shells": [
{
"resolution_limits": [1.640,1.610],
"number_observations": 9326,
"number_observations_unique": 2918,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.732
},
{
"type": "R(meas)",
"value": 2.100
},
{
"type": "R(pim)",
"value": 1.148
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 85.900
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.283
}
]
},
{
"resolution_limits": [46.560,8.670],
"number_observations": 2765,
"number_observations_unique": 457,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 79.900
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.100
},
{
"type": "CC(1/2)",
"value": 0.970
}
]
}
]
}