Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7d109ce9225c2e1bbfca196004694800",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.043,
"b": 52.569,
"c": 44.672,
"alpha": 90.00,
"beta": 103.02,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.630,1.640],
"number_observations": 104973,
"number_observations_unique": 30955,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.134
},
{
"type": "R(meas)",
"value": 0.158
},
{
"type": "R(pim)",
"value": 0.083
},
{
"type": "I/SigI",
"value": 4.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.994
}
]
},
"refln_shells": [
{
"resolution_limits": [1.670,1.640],
"number_observations": 4310,
"number_observations_unique": 1561,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.439
},
{
"type": "R(meas)",
"value": 1.778
},
{
"type": "R(pim)",
"value": 1.026
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.800
},
{
"type": "CC(1/2)",
"value": 0.272
}
]
},
{
"resolution_limits": [54.630,8.840],
"number_observations": 817,
"number_observations_unique": 216,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "R(meas)",
"value": 0.055
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 17.800
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.996
}
]
}
]
}