Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "a0a32b5a1839f6e331fdfe990b2064b8",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 71.699,
"b": 74.140,
"c": 99.210,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.03310],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [99.210,2.000],
"number_observations": 399571,
"number_observations_unique": 36452,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.123
},
{
"type": "R(meas)",
"value": 0.129
},
{
"type": "R(pim)",
"value": 0.038
},
{
"type": "I/SigI",
"value": 13.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 11.000
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
},
"refln_shells": [
{
"resolution_limits": [2.050,2.000],
"number_observations": 19080,
"number_observations_unique": 2623,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.897
},
{
"type": "R(meas)",
"value": 0.965
},
{
"type": "R(pim)",
"value": 0.344
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.300
},
{
"type": "CC(1/2)",
"value": 0.655
}
]
},
{
"resolution_limits": [99.210,8.940],
"number_observations": 4678,
"number_observations_unique": 488,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "R(meas)",
"value": 0.105
},
{
"type": "R(pim)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 28.400
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 9.600
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}