Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "07364db84242a0e7aafcfb084791404a",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 127.69,
"b": 45.43,
"c": 83.46,
"alpha": 90.00,
"beta": 102.26,
"gamma": 90.00
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [42.690,1.740],
"number_observations": 161629,
"number_observations_unique": 47352,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "R(meas)",
"value": 0.057
},
{
"type": "R(pim)",
"value": 0.031
},
{
"type": "I/SigI",
"value": 17.600
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.790,1.740],
"number_observations": 12261,
"number_observations_unique": 3487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.666
},
{
"type": "R(meas)",
"value": 0.787
},
{
"type": "R(pim)",
"value": 0.415
},
{
"type": "I/SigI",
"value": 2.000
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.675
}
]
},
{
"resolution_limits": [42.690,7.780],
"number_observations": 1969,
"number_observations_unique": 585,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.027
},
{
"type": "R(pim)",
"value": 0.014
},
{
"type": "I/SigI",
"value": 66.600
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}