Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bda09bf6c7578a666129a3287fcf7606",
"space_group_name": "P 31 2 1",
"unit_cell": {
"a": 69.774,
"b": 69.774,
"c": 85.473,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [1.54180],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [18.220,2.500],
"number_observations_unique": 8629,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 14.500
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
"refln_shells": [
{
"resolution_limits": [2.590,2.500],
"number_observations": 3138,
"number_observations_unique": 845,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.143
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.670
}
]
},
{
"resolution_limits": [2.690,2.590],
"number_observations": 3197,
"number_observations_unique": 859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.117
},
{
"type": "I/SigI",
"value": 9.200
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.680
}
]
},
{
"resolution_limits": [2.810,2.690],
"number_observations": 3128,
"number_observations_unique": 829,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.100
},
{
"type": "I/SigI",
"value": 10.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.720
}
]
},
{
"resolution_limits": [2.960,2.810],
"number_observations": 3263,
"number_observations_unique": 866,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.088
},
{
"type": "I/SigI",
"value": 11.300
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 3.740
}
]
},
{
"resolution_limits": [3.150,2.960],
"number_observations": 3240,
"number_observations_unique": 859,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 14.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.750
}
]
},
{
"resolution_limits": [3.390,3.150],
"number_observations": 3157,
"number_observations_unique": 841,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "I/SigI",
"value": 15.700
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 3.740
}
]
},
{
"resolution_limits": [3.730,3.390],
"number_observations": 3264,
"number_observations_unique": 869,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "I/SigI",
"value": 14.900
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.750
}
]
},
{
"resolution_limits": [4.260,3.730],
"number_observations": 3284,
"number_observations_unique": 868,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "I/SigI",
"value": 20.800
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 3.770
}
]
},
{
"resolution_limits": [5.340,4.260],
"number_observations": 3288,
"number_observations_unique": 890,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "I/SigI",
"value": 19.700
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 3.680
}
]
},
{
"resolution_limits": [18.220,5.340],
"number_observations": 3243,
"number_observations_unique": 903,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "I/SigI",
"value": 20.100
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 3.550
}
]
}
]
}