Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "557851d5d525cc7f1374ca27ffb6f4f7",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 58.200,
"b": 46.298,
"c": 62.997,
"alpha": 90.0,
"beta": 112.3,
"gamma": 90.0
},
"wavelengths": [0.96600],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [58.290,1.540],
"number_observations": 114548,
"number_observations_unique": 45232,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "R(meas)",
"value": 0.058
},
{
"type": "R(pim)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.400
},
{
"type": "Completeness",
"value": 98.100
},
{
"type": "Redundancy",
"value": 2.500
},
{
"type": "CC(1/2)",
"value": 0.978
}
]
},
"refln_shells": [
{
"resolution_limits": [1.570,1.540],
"number_observations": 4955,
"number_observations_unique": 2185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.281
},
{
"type": "R(meas)",
"value": 0.359
},
{
"type": "R(pim)",
"value": 0.221
},
{
"type": "I/SigI",
"value": 2.200
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 2.300
},
{
"type": "CC(1/2)",
"value": 0.870
}
]
},
{
"resolution_limits": [58.290,8.430],
"number_observations": 776,
"number_observations_unique": 290,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.022
},
{
"type": "R(meas)",
"value": 0.028
},
{
"type": "R(pim)",
"value": 0.017
},
{
"type": "I/SigI",
"value": 34.900
},
{
"type": "Completeness",
"value": 95.000
},
{
"type": "Redundancy",
"value": 2.700
},
{
"type": "CC(1/2)",
"value": 0.987
}
]
}
]
}