Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "02a19caed0f1aeb6d79b77b5b01a24b6",
"space_group_name": "H 3",
"unit_cell": {
"a": 81.559,
"b": 81.559,
"c": 33.538,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54056],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [40.780,2.000],
"number_observations_unique": 5487,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.098
},
{
"type": "I/SigI",
"value": 6.500
},
{
"type": "Completeness",
"value": 32.600
},
{
"type": "Redundancy",
"value": 1.900
}
]
},
"refln_shells": [
{
"resolution_limits": [2.110,2.000],
"number_observations": 1167,
"number_observations_unique": 787,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.481
},
{
"type": "I/SigI",
"value": 0.900
},
{
"type": "Completeness",
"value": 31.600
},
{
"type": "Redundancy",
"value": 1.500
}
]
},
{
"resolution_limits": [2.240,2.110],
"number_observations": 1298,
"number_observations_unique": 731,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.401
},
{
"type": "I/SigI",
"value": 1.600
},
{
"type": "Completeness",
"value": 31.800
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [2.390,2.240],
"number_observations": 1505,
"number_observations_unique": 743,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.345
},
{
"type": "I/SigI",
"value": 1.900
},
{
"type": "Completeness",
"value": 33.600
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations": 1366,
"number_observations_unique": 674,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.273
},
{
"type": "I/SigI",
"value": 1.300
},
{
"type": "Completeness",
"value": 33.000
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [2.830,2.580],
"number_observations": 1255,
"number_observations_unique": 619,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 4.200
},
{
"type": "Completeness",
"value": 33.400
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [3.160,2.830],
"number_observations": 1137,
"number_observations_unique": 554,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.080
},
{
"type": "I/SigI",
"value": 7.900
},
{
"type": "Completeness",
"value": 32.900
},
{
"type": "Redundancy",
"value": 2.100
}
]
},
{
"resolution_limits": [3.650,3.160],
"number_observations": 991,
"number_observations_unique": 502,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.049
},
{
"type": "I/SigI",
"value": 13.200
},
{
"type": "Completeness",
"value": 33.500
},
{
"type": "Redundancy",
"value": 2.000
}
]
},
{
"resolution_limits": [4.470,3.650],
"number_observations": 728,
"number_observations_unique": 410,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 18.600
},
{
"type": "Completeness",
"value": 32.700
},
{
"type": "Redundancy",
"value": 1.800
}
]
},
{
"resolution_limits": [6.330,4.470],
"number_observations": 550,
"number_observations_unique": 316,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.033
},
{
"type": "I/SigI",
"value": 17.400
},
{
"type": "Completeness",
"value": 32.300
},
{
"type": "Redundancy",
"value": 1.700
}
]
},
{
"resolution_limits": [13.019,6.330],
"number_observations": 222,
"number_observations_unique": 151,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.032
},
{
"type": "I/SigI",
"value": 22.400
},
{
"type": "Completeness",
"value": 28.100
},
{
"type": "Redundancy",
"value": 1.500
}
]
}
]
}