Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "fbee86aa6e9db35bc83d1afdaad40b29",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 181.789,
"b": 59.048,
"c": 67.092,
"alpha": 90.00,
"beta": 94.68,
"gamma": 90.00
},
"wavelengths": [0.97630],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [43.540,2.490],
"number_observations": 173171,
"number_observations_unique": 24816,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.234
},
{
"type": "R(meas)",
"value": 0.253
},
{
"type": "R(pim)",
"value": 0.095
},
{
"type": "I/SigI",
"value": 6.700
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.490],
"number_observations": 19584,
"number_observations_unique": 2781,
"quality_factors": [
{
"type": "R(merge)",
"value": 2.111
},
{
"type": "R(meas)",
"value": 2.279
},
{
"type": "R(pim)",
"value": 0.851
},
{
"type": "I/SigI",
"value": 1.200
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.000
},
{
"type": "CC(1/2)",
"value": 0.542
}
]
},
{
"resolution_limits": [43.540,8.980],
"number_observations": 3673,
"number_observations_unique": 565,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "R(meas)",
"value": 0.069
},
{
"type": "R(pim)",
"value": 0.026
},
{
"type": "I/SigI",
"value": 23.400
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 6.500
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}