Raw JSON data
{
"mxlims_type": "ReflectionSet",
"version": "0.2.2",
"uuid": "bacc619405dcc1016850bef77e71afe6",
"space_group_name": "P 1 21 1",
"unit_cell": {
"a": 54.154,
"b": 81.044,
"c": 58.100,
"alpha": 90.00,
"beta": 110.16,
"gamma": 90.00
},
"wavelengths": [1.00000],
"anisotropic_diffraction": false,
"overall_refln_statistics": {
"resolution_limits": [50.000,2.270],
"number_observations": 146877,
"number_observations_unique": 21482,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.121
},
{
"type": "I/SigI",
"value": 5.100
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
"refln_shells": [
{
"resolution_limits": [2.310,2.270],
"number_observations_unique": 1074,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.907
},
{
"type": "Completeness",
"value": 98.000
},
{
"type": "Redundancy",
"value": 6.600
}
]
},
{
"resolution_limits": [2.350,2.310],
"number_observations_unique": 1071,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.829
},
{
"type": "Completeness",
"value": 97.300
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.400,2.350],
"number_observations_unique": 1065,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.756
},
{
"type": "Completeness",
"value": 97.800
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.450,2.400],
"number_observations_unique": 1080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.639
},
{
"type": "Completeness",
"value": 96.900
},
{
"type": "Redundancy",
"value": 6.900
}
]
},
{
"resolution_limits": [2.500,2.450],
"number_observations_unique": 1072,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.579
},
{
"type": "Completeness",
"value": 98.200
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.560,2.500],
"number_observations_unique": 1077,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.514
},
{
"type": "Completeness",
"value": 98.300
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.620,2.560],
"number_observations_unique": 1081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.430
},
{
"type": "Completeness",
"value": 98.500
},
{
"type": "Redundancy",
"value": 6.800
}
]
},
{
"resolution_limits": [2.690,2.620],
"number_observations_unique": 1088,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.367
},
{
"type": "Completeness",
"value": 97.500
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [2.770,2.690],
"number_observations_unique": 1059,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.310
},
{
"type": "Completeness",
"value": 97.100
},
{
"type": "Redundancy",
"value": 6.500
}
]
},
{
"resolution_limits": [2.860,2.770],
"number_observations_unique": 989,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.268
},
{
"type": "Completeness",
"value": 90.000
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [2.960,2.860],
"number_observations_unique": 1081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.223
},
{
"type": "Completeness",
"value": 99.100
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.080,2.960],
"number_observations_unique": 1105,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.193
},
{
"type": "Completeness",
"value": 98.600
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.220,3.080],
"number_observations_unique": 1097,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.164
},
{
"type": "Completeness",
"value": 99.400
},
{
"type": "Redundancy",
"value": 7.200
}
]
},
{
"resolution_limits": [3.390,3.220],
"number_observations_unique": 1114,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.137
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [3.600,3.390],
"number_observations_unique": 1081,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.114
},
{
"type": "Completeness",
"value": 98.900
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [3.880,3.600],
"number_observations_unique": 1080,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.095
},
{
"type": "Completeness",
"value": 97.600
},
{
"type": "Redundancy",
"value": 6.700
}
]
},
{
"resolution_limits": [4.270,3.880],
"number_observations_unique": 1004,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.092
},
{
"type": "Completeness",
"value": 90.800
},
{
"type": "Redundancy",
"value": 6.400
}
]
},
{
"resolution_limits": [4.890,4.270],
"number_observations_unique": 1106,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.081
},
{
"type": "Completeness",
"value": 98.700
},
{
"type": "Redundancy",
"value": 7.100
}
]
},
{
"resolution_limits": [6.160,4.890],
"number_observations_unique": 1102,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.077
},
{
"type": "Completeness",
"value": 98.800
},
{
"type": "Redundancy",
"value": 7.000
}
]
},
{
"resolution_limits": [50.000,6.160],
"number_observations_unique": 1056,
"quality_factors": [
{
"type": "R(merge)",
"value": 0.063
},
{
"type": "Completeness",
"value": 92.100
},
{
"type": "Redundancy",
"value": 6.600
}
]
}
]
}