Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "d54d4e1c719d2fb1d78aeb634a7eefc7",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 33.141,
"b": 96.190,
"c": 143.254,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.97852],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.200],
"number_observations": 182459,
"number_observations_unique": 24162,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.074
},
{
"type": "I/SigI",
"value": 13.400
},
{
"type": "Completeness",
"value": 99.200
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
"refln_shells": [
{
"resolution_limits": [2.280,2.200],
"number_observations_unique": 2353,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.461
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.370,2.280],
"number_observations_unique": 2422,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.317
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.480,2.370],
"number_observations_unique": 2360,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.239
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [2.610,2.480],
"number_observations_unique": 2400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.165
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [2.770,2.610],
"number_observations_unique": 2417,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.118
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [2.990,2.770],
"number_observations_unique": 2400,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.089
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 7.800
}
]
},
{
"resolution_limits": [3.290,2.990],
"number_observations_unique": 2420,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.085
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 7.700
}
]
},
{
"resolution_limits": [3.760,3.290],
"number_observations_unique": 2437,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 7.600
}
]
},
{
"resolution_limits": [4.740,3.760],
"number_observations_unique": 2404,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.058
},
{
"type": "Completeness",
"value": 96.700
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [50.000,4.740],
"number_observations_unique": 2549,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.045
},
{
"type": "Completeness",
"value": 96.600
},
{
"type": "Redundancy",
"value": 7.200
}
]
}
]
}