Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "32918014aba485dd4589499810a65f43",
"space_group_name": "P 61",
"unit_cell": {
"a": 105.042,
"b": 105.042,
"c": 70.046,
"alpha": 90.0,
"beta": 90.0,
"gamma": 120.0
},
"wavelengths": [0.98000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [105.050,2.150],
"number_observations_unique": 24043,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.054
},
{
"type": "I/SigI",
"value": 20.100
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 22.300
}
]
},
"refln_shells": [
{
"resolution_limits": [2.190,2.150],
"number_observations_unique": 1188,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.338
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.600
}
]
},
{
"resolution_limits": [2.230,2.190],
"number_observations_unique": 1182,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.307
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.500
}
]
},
{
"resolution_limits": [2.270,2.230],
"number_observations_unique": 1202,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.262
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.600
}
]
},
{
"resolution_limits": [2.320,2.270],
"number_observations_unique": 1176,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.222
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.600
}
]
},
{
"resolution_limits": [2.370,2.320],
"number_observations_unique": 1200,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.214
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.600
}
]
},
{
"resolution_limits": [2.420,2.370],
"number_observations_unique": 1217,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.174
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.600
}
]
},
{
"resolution_limits": [2.480,2.420],
"number_observations_unique": 1174,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.152
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.600
}
]
},
{
"resolution_limits": [2.550,2.480],
"number_observations_unique": 1192,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.133
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.600
}
]
},
{
"resolution_limits": [2.620,2.550],
"number_observations_unique": 1207,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.600
}
]
},
{
"resolution_limits": [2.710,2.620],
"number_observations_unique": 1206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.600
}
]
},
{
"resolution_limits": [2.810,2.710],
"number_observations_unique": 1218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.600
}
]
},
{
"resolution_limits": [2.920,2.810],
"number_observations_unique": 1201,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.069
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.600
}
]
},
{
"resolution_limits": [3.050,2.920],
"number_observations_unique": 1190,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.059
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.500
}
]
},
{
"resolution_limits": [3.210,3.050],
"number_observations_unique": 1183,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.050
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.500
}
]
},
{
"resolution_limits": [3.410,3.210],
"number_observations_unique": 1227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.400
}
]
},
{
"resolution_limits": [3.680,3.410],
"number_observations_unique": 1194,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.047
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 22.200
}
]
},
{
"resolution_limits": [4.050,3.680],
"number_observations_unique": 1210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.048
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.800
}
]
},
{
"resolution_limits": [4.630,4.050],
"number_observations_unique": 1213,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.043
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 21.600
}
]
},
{
"resolution_limits": [5.840,4.630],
"number_observations_unique": 1225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.036
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 20.900
}
]
},
{
"resolution_limits": [105.050,5.840],
"number_observations_unique": 1238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.037
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 20.900
}
]
}
]
}