Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "3a3e7144f1505a3c294deeed3a825105",
"space_group_name": "I 2 2 2",
"unit_cell": {
"a": 64.94,
"b": 66.61,
"c": 108.65,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.45900],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [56.788,2.350],
"number_observations_unique": 10134,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "I/SigI",
"value": 10.300
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
"refln_shells": [
{
"resolution_limits": [2.480,2.350],
"number_observations": 6800,
"number_observations_unique": 1473,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "I/SigI",
"value": 3.400
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.630,2.480],
"number_observations": 6352,
"number_observations_unique": 1369,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.176
},
{
"type": "I/SigI",
"value": 4.000
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [2.810,2.630],
"number_observations": 5988,
"number_observations_unique": 1303,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "I/SigI",
"value": 4.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.600
}
]
},
{
"resolution_limits": [3.030,2.810],
"number_observations": 5416,
"number_observations_unique": 1211,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.115
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [3.320,3.030],
"number_observations": 4959,
"number_observations_unique": 1124,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.094
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [3.720,3.320],
"number_observations": 4344,
"number_observations_unique": 1019,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.072
},
{
"type": "I/SigI",
"value": 7.600
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 4.300
}
]
},
{
"resolution_limits": [4.290,3.720],
"number_observations": 3704,
"number_observations_unique": 902,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "I/SigI",
"value": 7.700
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [5.250,4.290],
"number_observations": 3291,
"number_observations_unique": 779,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.066
},
{
"type": "I/SigI",
"value": 6.600
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.200
}
]
},
{
"resolution_limits": [7.430,5.250],
"number_observations": 2752,
"number_observations_unique": 615,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.073
},
{
"type": "I/SigI",
"value": 8.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 4.500
}
]
},
{
"resolution_limits": [28.394,7.430],
"number_observations": 1406,
"number_observations_unique": 339,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "I/SigI",
"value": 11.900
},
{
"type": "Completeness",
"value": 94.000
},
{
"type": "Redundancy",
"value": 4.100
}
]
}
]
}