Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f0158d84d8d159da7d5e64747f37d03d",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 50.573,
"b": 58.434,
"c": 96.722,
"alpha": 90.00,
"beta": 94.11,
"gamma": 90.00
},
"wavelengths": [0.74503],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [48.240,1.750],
"number_observations": 167509,
"number_observations_unique": 56226,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "R(meas)",
"value": 0.196
},
{
"type": "R(pim)",
"value": 0.109
},
{
"type": "I/SigI",
"value": 4.300
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
},
"refln_shells": [
{
"resolution_limits": [1.780,1.750],
"number_observations": 8620,
"number_observations_unique": 2947,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.124
},
{
"type": "R(meas)",
"value": 1.363
},
{
"type": "R(pim)",
"value": 0.761
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.425
}
]
},
{
"resolution_limits": [48.240,9.100],
"number_observations": 1197,
"number_observations_unique": 423,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.029
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 18.300
},
{
"type": "Completeness",
"value": 95.400
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}