Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "7f7f71c3f35827fb5d6e925f2e152df5",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 31.110,
"b": 60.666,
"c": 38.269,
"alpha": 90.00,
"beta": 92.92,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [30.0,1.35],
"number_observations_unique": 15185,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.051
},
{
"type": "I/SigI",
"value": 27.6
},
{
"type": "Completeness",
"value": 87.9
},
{
"type": "Redundancy",
"value": 5.4
}
]
},
"refln_shells": [
{
"resolution_limits": [1.400,1.350],
"number_observations_unique": 1517,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.191
},
{
"type": "Completeness",
"value": 48.900
},
{
"type": "Redundancy",
"value": 3.000
}
]
},
{
"resolution_limits": [1.450,1.400],
"number_observations_unique": 2046,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.146
},
{
"type": "Completeness",
"value": 65.700
},
{
"type": "Redundancy",
"value": 3.700
}
]
},
{
"resolution_limits": [1.520,1.450],
"number_observations_unique": 2572,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.126
},
{
"type": "Completeness",
"value": 82.500
},
{
"type": "Redundancy",
"value": 4.400
}
]
},
{
"resolution_limits": [1.600,1.520],
"number_observations_unique": 3039,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.109
},
{
"type": "Completeness",
"value": 97.900
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [1.700,1.600],
"number_observations_unique": 3122,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.078
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [1.830,1.700],
"number_observations_unique": 3135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.064
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.020,1.830],
"number_observations_unique": 3099,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.310,2.020],
"number_observations_unique": 3119,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [2.910,2.310],
"number_observations_unique": 3135,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.900
}
]
},
{
"resolution_limits": [30.000,2.910],
"number_observations_unique": 2707,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.046
},
{
"type": "Completeness",
"value": 84.400
},
{
"type": "Redundancy",
"value": 5.100
}
]
}
]
}