Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "8908b562a1afae85b52b5ac430626b43",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 65.29,
"b": 74.60,
"c": 92.36,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97945],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [92.360,2.000],
"number_observations_unique": 30637,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 10.200
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.000],
"number_observations": 15573,
"number_observations_unique": 4434,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.536
},
{
"type": "I/SigI",
"value": 1.3
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.240,2.110],
"number_observations": 14670,
"number_observations_unique": 4170,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.354
},
{
"type": "I/SigI",
"value": 2.1
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.390,2.240],
"number_observations": 13847,
"number_observations_unique": 3953,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "I/SigI",
"value": 3.1
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations": 12955,
"number_observations_unique": 3695,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.171
},
{
"type": "I/SigI",
"value": 4.4
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.830,2.580],
"number_observations": 12039,
"number_observations_unique": 3427,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "I/SigI",
"value": 6.3
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.160,2.830],
"number_observations": 10743,
"number_observations_unique": 3066,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.075
},
{
"type": "I/SigI",
"value": 9.0
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [3.650,3.160],
"number_observations": 9578,
"number_observations_unique": 2744,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 11.0
},
{
"type": "Completeness",
"value": 99.000
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [4.470,3.650],
"number_observations": 8133,
"number_observations_unique": 2314,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.041
},
{
"type": "I/SigI",
"value": 13.7
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [6.320,4.470],
"number_observations": 6324,
"number_observations_unique": 1805,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.040
},
{
"type": "I/SigI",
"value": 13.9
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [49.131,6.320],
"number_observations": 3418,
"number_observations_unique": 1029,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.035
},
{
"type": "I/SigI",
"value": 12.7
},
{
"type": "Completeness",
"value": 95.500
},
{
"type": "Redundancy",
"value": 3.300
}
]
}
]
}