Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7fd8495737186ad840c671f4d346bf1b",
"space_group_name": "C 1 2 1",
"unit_cell": {
"a": 112.233,
"b": 52.757,
"c": 44.543,
"alpha": 90.00,
"beta": 102.93,
"gamma": 90.00
},
"wavelengths": [0.91260],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [54.640,1.690],
"number_observations": 101554,
"number_observations_unique": 28519,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.163
},
{
"type": "R(meas)",
"value": 0.192
},
{
"type": "R(pim)",
"value": 0.099
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.600
},
{
"type": "CC(1/2)",
"value": 0.988
}
]
},
"refln_shells": [
{
"resolution_limits": [1.720,1.690],
"number_observations": 4409,
"number_observations_unique": 1451,
"quality_factors": [
{
"type": "R(merge)",
"value": 1.407
},
{
"type": "R(meas)",
"value": 1.705
},
{
"type": "R(pim)",
"value": 0.948
},
{
"type": "I/SigI",
"value": 0.600
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.000
},
{
"type": "CC(1/2)",
"value": 0.329
}
]
},
{
"resolution_limits": [54.640,9.090],
"number_observations": 773,
"number_observations_unique": 202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "R(meas)",
"value": 0.086
},
{
"type": "R(pim)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.800
},
{
"type": "CC(1/2)",
"value": 0.990
}
]
}
]
}