Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.3",
"uuid": "02a875504dbb5f66c17fec89f348ddd1",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 55.452,
"b": 83.645,
"c": 58.930,
"alpha": 90.00,
"beta": 108.23,
"gamma": 90.00
},
"wavelengths": [0.92202],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [83.640,1.480],
"number_observations": 420750,
"number_observations_unique": 77817,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.099
},
{
"type": "R(meas)",
"value": 0.108
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 91.600
},
{
"type": "Redundancy",
"value": 5.400
},
{
"type": "CC(1/2)",
"value": 0.986
}
]
},
"refln_shells": [
{
"resolution_limits": [1.510,1.480],
"number_observations": 4267,
"number_observations_unique": 2094,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.004
},
{
"type": "R(meas)",
"value": 1.362
},
{
"type": "R(pim)",
"value": 0.911
},
{
"type": "I/SigI",
"value": 0.500
},
{
"type": "Completeness",
"value": 49.600
},
{
"type": "Redundancy",
"value": 2.000
},
{
"type": "CC(1/2)",
"value": 0.364
}
]
},
{
"resolution_limits": [83.640,8.110],
"number_observations": 3109,
"number_observations_unique": 554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "R(meas)",
"value": 0.140
},
{
"type": "R(pim)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 39.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
},
{
"type": "CC(1/2)",
"value": 0.960
}
]
}
]
}