Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "749e6bf887ca242e1a7ed098ec807f87",
"space_group_name": "P 21 21 21",
"unit_cell": {
"a": 44.23,
"b": 56.85,
"c": 100.38,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,1.900],
"number_observations_unique": 20146,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.062
},
{
"type": "I/SigI",
"value": 14.600
},
{
"type": "Completeness",
"value": 97.400
},
{
"type": "Redundancy",
"value": 5.100
}
]
},
"refln_shells": [
{
"resolution_limits": [1.970,1.900],
"number_observations_unique": 1668,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.231
},
{
"type": "Completeness",
"value": 82.800
},
{
"type": "Redundancy",
"value": 3.500
}
]
},
{
"resolution_limits": [2.050,1.970],
"number_observations_unique": 1896,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.217
},
{
"type": "Completeness",
"value": 93.800
},
{
"type": "Redundancy",
"value": 4.100
}
]
},
{
"resolution_limits": [2.140,2.050],
"number_observations_unique": 1997,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.196
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 4.900
}
]
},
{
"resolution_limits": [2.250,2.140],
"number_observations_unique": 2033,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.162
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.300
}
]
},
{
"resolution_limits": [2.390,2.250],
"number_observations_unique": 2038,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.580,2.390],
"number_observations_unique": 2063,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.104
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [2.840,2.580],
"number_observations_unique": 2042,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.084
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.600
}
]
},
{
"resolution_limits": [3.250,2.840],
"number_observations_unique": 2078,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.061
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 5.500
}
]
},
{
"resolution_limits": [4.090,3.250],
"number_observations_unique": 2104,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 5.400
}
]
},
{
"resolution_limits": [50.000,4.090],
"number_observations_unique": 2227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.034
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 5.100
}
]
}
]
}