Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7c76632492c6bc7c8b2d1eeb3467e5be",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.115,
"b": 39.785,
"c": 66.722,
"alpha": 90.00,
"beta": 94.91,
"gamma": 90.00
},
"wavelengths": [0.97918],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [66.480,1.850],
"number_observations": 111545,
"number_observations_unique": 23568,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "R(meas)",
"value": 0.084
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 11.000
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 4.700
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
},
"refln_shells": [
{
"resolution_limits": [1.890,1.850],
"number_observations": 3349,
"number_observations_unique": 1052,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.866
},
{
"type": "R(meas)",
"value": 1.027
},
{
"type": "R(pim)",
"value": 0.530
},
{
"type": "I/SigI",
"value": 1.100
},
{
"type": "Completeness",
"value": 71.200
},
{
"type": "Redundancy",
"value": 3.200
},
{
"type": "CC(1/2)",
"value": 0.548
}
]
},
{
"resolution_limits": [66.480,9.070],
"number_observations": 1085,
"number_observations_unique": 236,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.039
},
{
"type": "R(meas)",
"value": 0.044
},
{
"type": "R(pim)",
"value": 0.019
},
{
"type": "I/SigI",
"value": 32.800
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 4.600
},
{
"type": "CC(1/2)",
"value": 0.998
}
]
}
]
}