Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "9fd4e70d391bf50725cd4e90605dea4b",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 45.177,
"b": 66.389,
"c": 57.951,
"alpha": 90.00,
"beta": 94.45,
"gamma": 90.00
},
"wavelengths": [1.54000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [20.000,2.100],
"number_observations_unique": 19973,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.065
},
{
"type": "I/SigI",
"value": 12.200
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.170,2.100],
"number_observations_unique": 1975,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.169
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.260,2.170],
"number_observations_unique": 2002,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.147
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.360,2.260],
"number_observations_unique": 1995,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.124
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.490,2.360],
"number_observations_unique": 1976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.110
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.640,2.490],
"number_observations_unique": 2018,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.093
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [2.850,2.640],
"number_observations_unique": 2010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.130,2.850],
"number_observations_unique": 1999,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [3.590,3.130],
"number_observations_unique": 2012,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [4.510,3.590],
"number_observations_unique": 2010,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 98.400
},
{
"type": "Redundancy",
"value": 3.400
}
]
},
{
"resolution_limits": [20.000,4.510],
"number_observations_unique": 1976,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 95.600
},
{
"type": "Redundancy",
"value": 3.300
}
]
}
]
}