Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "e28aa2058cc281b60136248fae7eb70c",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 113.065,
"b": 53.047,
"c": 44.565,
"alpha": 90.00,
"beta": 103.04,
"gamma": 90.00
},
"wavelengths": [0.91300],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [55.020,1.810],
"number_observations": 82846,
"number_observations_unique": 23476,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.192
},
{
"type": "R(meas)",
"value": 0.228
},
{
"type": "R(pim)",
"value": 0.120
},
{
"type": "I/SigI",
"value": 3.800
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 3.500
},
{
"type": "CC(1/2)",
"value": 0.962
}
]
},
"refln_shells": [
{
"resolution_limits": [1.840,1.810],
"number_observations": 4575,
"number_observations_unique": 1348,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.633
},
{
"type": "R(meas)",
"value": 1.935
},
{
"type": "R(pim)",
"value": 1.024
},
{
"type": "I/SigI",
"value": 0.700
},
{
"type": "Completeness",
"value": 96.000
},
{
"type": "Redundancy",
"value": 3.400
},
{
"type": "CC(1/2)",
"value": 0.373
}
]
},
{
"resolution_limits": [55.020,9.040],
"number_observations": 795,
"number_observations_unique": 208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "R(meas)",
"value": 0.074
},
{
"type": "R(pim)",
"value": 0.037
},
{
"type": "I/SigI",
"value": 11.600
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.995
}
]
}
]
}