Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4232feca187f4d69d92f749c613b90b6",
"space_group_name": "I 1 2 1",
"unit_cell": {
"a": 114.191,
"b": 142.402,
"c": 288.521,
"alpha": 90.00,
"beta": 100.41,
"gamma": 90.00
},
"wavelengths": [0.96546],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [49.3,2.400],
"number_observations_unique": 175685,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.129
},
{
"type": "R(meas)",
"value": 0.156
},
{
"type": "R(pim)",
"value": 0.087
},
{
"type": "I/SigI",
"value": 7.800
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.100
},
{
"type": "CC(1/2)",
"value": 0.992
}
]
},
"refln_shells": [
{
"resolution_limits": [2.440,2.400],
"number_observations": 28259,
"number_observations_unique": 8717,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.264
},
{
"type": "R(meas)",
"value": 1.514
},
{
"type": "R(pim)",
"value": 0.823
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.466
}
]
},
{
"resolution_limits": [49.380,13.150],
"number_observations": 3016,
"number_observations_unique": 1054,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.028
},
{
"type": "R(meas)",
"value": 0.035
},
{
"type": "R(pim)",
"value": 0.020
},
{
"type": "I/SigI",
"value": 30.800
},
{
"type": "Completeness",
"value": 93.600
},
{
"type": "Redundancy",
"value": 2.900
},
{
"type": "CC(1/2)",
"value": 0.997
}
]
}
]
}