Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "4431d776cb7408d63a7f2ca46a4b0d47",
"space_group_name": "P 21 21 2",
"unit_cell": {
"a": 51.32,
"b": 86.42,
"c": 86.60,
"alpha": 90.0,
"beta": 90.0,
"gamma": 90.0
},
"wavelengths": [0.98800],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.050],
"number_observations": 149146,
"number_observations_unique": 24570,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.113
},
{
"type": "I/SigI",
"value": 6.200
},
{
"type": "Completeness",
"value": 99.700
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
"refln_shells": [
{
"resolution_limits": [2.090,2.050],
"number_observations_unique": 1187,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.644
},
{
"type": "I/SigI",
"value": 2.6
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [2.120,2.090],
"number_observations_unique": 1210,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.489
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.160,2.120],
"number_observations_unique": 1219,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.459
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.210,2.160],
"number_observations_unique": 1196,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.395
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.260,2.210],
"number_observations_unique": 1206,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.390
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.310,2.260],
"number_observations_unique": 1221,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.340
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.370,2.310],
"number_observations_unique": 1208,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.326
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.430,2.370],
"number_observations_unique": 1220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.287
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.500,2.430],
"number_observations_unique": 1214,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.271
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.580,2.500],
"number_observations_unique": 1227,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.211
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [2.680,2.580],
"number_observations_unique": 1225,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.205
},
{
"type": "Completeness",
"value": 100.000
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.780,2.680],
"number_observations_unique": 1224,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.172
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [2.910,2.780],
"number_observations_unique": 1220,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.149
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.200
}
]
},
{
"resolution_limits": [3.060,2.910],
"number_observations_unique": 1240,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.128
},
{
"type": "Completeness",
"value": 99.900
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [3.250,3.060],
"number_observations_unique": 1218,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.108
},
{
"type": "Completeness",
"value": 99.800
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [3.510,3.250],
"number_observations_unique": 1238,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.090
},
{
"type": "Completeness",
"value": 99.600
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [3.860,3.510],
"number_observations_unique": 1244,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.076
},
{
"type": "Completeness",
"value": 99.500
},
{
"type": "Redundancy",
"value": 5.700
}
]
},
{
"resolution_limits": [4.420,3.860],
"number_observations_unique": 1251,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.056
},
{
"type": "Completeness",
"value": 99.300
},
{
"type": "Redundancy",
"value": 6.000
}
]
},
{
"resolution_limits": [5.560,4.420],
"number_observations_unique": 1271,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.052
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 6.100
}
]
},
{
"resolution_limits": [50.000,5.560],
"number_observations_unique": 1331,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.044
},
{
"type": "Completeness",
"value": 97.200
},
{
"type": "Redundancy",
"value": 5.800
}
]
}
]
}