Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "f6bd8f0bc362b76ec05f255a71bf53ab",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 55.459,
"b": 56.488,
"c": 101.847,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.92000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [29.100,1.540],
"number_observations": 317032,
"number_observations_unique": 47540,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "R(meas)",
"value": 0.072
},
{
"type": "R(pim)",
"value": 0.028
},
{
"type": "I/SigI",
"value": 16.200
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 6.700
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
},
"refln_shells": [
{
"resolution_limits": [1.580,1.540],
"number_observations": 22485,
"number_observations_unique": 3389,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.790
},
{
"type": "R(meas)",
"value": 0.856
},
{
"type": "R(pim)",
"value": 0.326
},
{
"type": "I/SigI",
"value": 2.400
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.600
},
{
"type": "CC(1/2)",
"value": 0.818
}
]
},
{
"resolution_limits": [29.100,6.880],
"number_observations": 3935,
"number_observations_unique": 624,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.031
},
{
"type": "R(meas)",
"value": 0.033
},
{
"type": "R(pim)",
"value": 0.013
},
{
"type": "I/SigI",
"value": 54.900
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 6.300
},
{
"type": "CC(1/2)",
"value": 0.999
}
]
}
]
}